2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole

C124H108S54Se12 — CID 158705445

IUPAC2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole
SMILESC1=CSC(=C2SC3=C(SCCS3)S2)S1.C1=CSC(=C2SC=CS2)S1.C1=C[Se]C(=C2[Se]C=C[Se]2)[Se]1.C1CC2=C(C1)SC(=C1SC3=C(CCC3)S1)S2.C1CCC2=C(C1)SC(=C1SC3=C(CCCC3)S1)S2.C1CSC2=C(S1)SC(=C1SC3=C(SCCS3)S1)S2.C1CSC2=C(S1)[Se]C(=C1[Se]C3=C(SCCS3)[Se]1)[Se]2.CC1=C(C)SC(=C2SC(C)=C(C)S2)S1.CSC1=C(SC)SC(=C2SC(CS)=C(CS)S2)S1.SCC1=C(CS)SC(=C2SC3=C(SCCS3)S2)S1.c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2.c1ccc2c(c1)[Se]C(=C1[Se]c3ccccc3[Se]1)[Se]2
InChIInChI=1S/C14H16S4.C14H8S4.C14H8Se4.C12H12S4.C10H8S8.C10H10S8.C10H12S8.C10H8S4Se4.C10H12S4.C8H6S6.C6H4S4.C6H4Se4/c3*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-3-7-8(4-1)14-11(13-7)12-15-9-5-2-6-10(9)16-12;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;11-3-5-6(4-12)16-9(15-5)10-17-7-8(18-10)14-2-1-13-7;1-13-7-8(14-2)18-10(17-7)9-15-5(3-11)6(4-12)16-9;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10;1-2-10-5(9-1)8-13-6-7(14-8)12-4-3-11-6;2*1-2-8-5(7-1)6-9-3-4-10-6/h1-8H2;2*1-8H;1-6H2;1-4H2;11-12H,1-4H2;11-12H,3-4H2,1-2H3;1-4H2;1-4H3;1-2H,3-4H2;2*1-4H
InChIKeyIIBBDHDZBIYBDK-UHFFFAOYSA-N
MW4277.37 g/mol
LogP52.12
Rot. Bonds6

About 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole

2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole (PubChem CID 158705445) has the molecular formula C124H108S54Se12 and a molecular weight of 4277.37 g/mol. Its IUPAC name is 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole.

Molecular Properties

Compound Name2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole
PubChem CID158705445
Molecular FormulaC124H108S54Se12
Molecular Weight4277.37 g/mol
Exact Mass4282.34
IUPAC Name2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole
SMILESC1=CSC(=C2SC3=C(SCCS3)S2)S1.C1=CSC(=C2SC=CS2)S1.C1=C[Se]C(=C2[Se]C=C[Se]2)[Se]1.C1CC2=C(C1)SC(=C1SC3=C(CCC3)S1)S2.C1CCC2=C(C1)SC(=C1SC3=C(CCCC3)S1)S2.C1CSC2=C(S1)SC(=C1SC3=C(SCCS3)S1)S2.C1CSC2=C(S1)[Se]C(=C1[Se]C3=C(SCCS3)[Se]1)[Se]2.CC1=C(C)SC(=C2SC(C)=C(C)S2)S1.CSC1=C(SC)SC(=C2SC(CS)=C(CS)S2)S1.SCC1=C(CS)SC(=C2SC3=C(SCCS3)S2)S1.c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2.c1ccc2c(c1)[Se]C(=C1[Se]c3ccccc3[Se]1)[Se]2
InChIInChI=1S/C14H16S4.C14H8S4.C14H8Se4.C12H12S4.C10H8S8.C10H10S8.C10H12S8.C10H8S4Se4.C10H12S4.C8H6S6.C6H4S4.C6H4Se4/c3*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-3-7-8(4-1)14-11(13-7)12-15-9-5-2-6-10(9)16-12;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;11-3-5-6(4-12)16-9(15-5)10-17-7-8(18-10)14-2-1-13-7;1-13-7-8(14-2)18-10(17-7)9-15-5(3-11)6(4-12)16-9;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10;1-2-10-5(9-1)8-13-6-7(14-8)12-4-3-11-6;2*1-2-8-5(7-1)6-9-3-4-10-6/h1-8H2;2*1-8H;1-6H2;1-4H2;11-12H,1-4H2;11-12H,3-4H2,1-2H3;1-4H2;1-4H3;1-2H,3-4H2;2*1-4H
InChIKeyIIBBDHDZBIYBDK-UHFFFAOYSA-N
XLogP52.12
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors54
Rotatable Bonds6
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004277.37
LogP ≤ 552.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole?
The IUPAC name of 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole (CID 158705445) is 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole.
What is the SMILES notation for 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole?
The canonical SMILES for 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole is C1=CSC(=C2SC3=C(SCCS3)S2)S1.C1=CSC(=C2SC=CS2)S1.C1=C[Se]C(=C2[Se]C=C[Se]2)[Se]1.C1CC2=C(C1)SC(=C1SC3=C(CCC3)S1)S2.C1CCC2=C(C1)SC(=C1SC3=C(CCCC3)S1)S2.C1CSC2=C(S1)SC(=C1SC3=C(SCCS3)S1)S2.C1CSC2=C(S1)[Se]C(=C1[Se]C3=C(SCCS3)[Se]1)[Se]2.CC1=C(C)SC(=C2SC(C)=C(C)S2)S1.CSC1=C(SC)SC(=C2SC(CS)=C(CS)S2)S1.SCC1=C(CS)SC(=C2SC3=C(SCCS3)S2)S1.c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2.c1ccc2c(c1)[Se]C(=C1[Se]c3ccccc3[Se]1)[Se]2.
What is the InChIKey of 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole?
The InChIKey is IIBBDHDZBIYBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S4.C14H8S4.C14H8Se4.C12H12S4.C10H8S8.C10H10S8.C10H12S8.C10H8S4Se4.C10H12S4.C8H6S6.C6H4S4.C6H4Se4/c3*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-3-7-8(4-1)14-11(13-7)12-15-9-5-2-6-10(9)16-12;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;11-3-5-6(4-12)16-9(15-5)10-17-7-8(18-10)14-2-1-13-7;1-13-7-8(14-2)18-10(17-7)9-15-5(3-11)6(4-12)16-9;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10;1-2-10-5(9-1)8-13-6-7(14-8)12-4-3-11-6;2*1-2-8-5(7-1)6-9-3-4-10-6/h1-8H2;2*1-8H;1-6H2;1-4H2;11-12H,1-4H2;11-12H,3-4H2,1-2H3;1-4H2;1-4H3;1-2H,3-4H2;2*1-4H.
What are the key properties of 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole?
2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole has a molecular weight of 4277.37 g/mol, XLogP of 52.12, 6 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodiselenol-2-ylidene)-1,3-benzodiselenole;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[d][1,3]dithiole;2-(5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]diselenolo[4,5-b][1,4]dithiine;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(sulfanylmethyl)-1,3-dithiol-4-yl]methanethiol;2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole;2-(1,3-diselenol-2-ylidene)-1,3-diselenole;2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole is sourced from PubChem (CID 158705445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).