2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole

C26H20S12 — CID 102302544

IUPAC2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
SMILESCSC1=C(SC)SC(=C2SC=C(c3cccc4cccc(C5=CSC(=C6SC(SC)=C(SC)S6)S5)c34)S2)S1
InChIInChI=1S/C26H20S12/c1-27-19-20(28-2)36-25(35-19)23-31-11-16(33-23)14-9-5-7-13-8-6-10-15(18(13)14)17-12-32-24(34-17)26-37-21(29-3)22(30-4)38-26/h5-12H,1-4H3
InChIKeyAMMAHDWHZVMTPY-UHFFFAOYSA-N
MW717.25 g/mol
LogP13.31
Rot. Bonds6

About 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole

2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole (PubChem CID 102302544) has the molecular formula C26H20S12 and a molecular weight of 717.25 g/mol. Its IUPAC name is 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole.

Molecular Properties

Compound Name2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
PubChem CID102302544
Molecular FormulaC26H20S12
Molecular Weight717.25 g/mol
Exact Mass715.82
IUPAC Name2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
SMILESCSC1=C(SC)SC(=C2SC=C(c3cccc4cccc(C5=CSC(=C6SC(SC)=C(SC)S6)S5)c34)S2)S1
InChIInChI=1S/C26H20S12/c1-27-19-20(28-2)36-25(35-19)23-31-11-16(33-23)14-9-5-7-13-8-6-10-15(18(13)14)17-12-32-24(34-17)26-37-21(29-3)22(30-4)38-26/h5-12H,1-4H3
InChIKeyAMMAHDWHZVMTPY-UHFFFAOYSA-N
XLogP13.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.25
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole with MolForge

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Related Compounds

6,20-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-3,5,7,9,17,19,21,23-octathia-29,30-diazapentacyclo[23.3.1.111,15.04,8.018,22]triaconta-1(29),4(8),11(30),12,14,18(22),25,27-octaene
CID 101239468
2-[4-[4-[5-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]phenyl]-2,6-dimethylhepta-3,4-dien-3-yl]phenyl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
CID 102498916
2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]indene-1,3-dione
CID 2332991
2-methylsulfanylbenzo[cd]indole hydroxide
CID 19914621
2-[10-[10-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-ylidene]anthracen-9-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
CID 101362899
11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene
CID 11042862
7,15-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,4,6,8,10,12,14,16-octathiatricyclo[11.3.0.05,9]hexadeca-1(13),5(9)-diene
CID 129136474
fluoranthene
CID 139203734
fluoranthene;toluene
CID 173324369
1-methylsulfanylacenaphthylene
CID 10910498
26,27-dimethyl-9-thiahexacyclo[15.7.1.13,7.111,15.02,16.021,25]heptacosa-1(24),2(16),3,5,7(27),11(26),12,14,17,19,21(25),22-dodecaene
CID 10786629
2-[4,5-bis(4-chlorobutylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
CID 10578404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The IUPAC name of 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole (CID 102302544) is 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole.
What is the SMILES notation for 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The canonical SMILES for 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole is CSC1=C(SC)SC(=C2SC=C(c3cccc4cccc(C5=CSC(=C6SC(SC)=C(SC)S6)S5)c34)S2)S1.
What is the InChIKey of 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The InChIKey is AMMAHDWHZVMTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20S12/c1-27-19-20(28-2)36-25(35-19)23-31-11-16(33-23)14-9-5-7-13-8-6-10-15(18(13)14)17-12-32-24(34-17)26-37-21(29-3)22(30-4)38-26/h5-12H,1-4H3.
What are the key properties of 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole has a molecular weight of 717.25 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole is sourced from PubChem (CID 102302544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).