argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane

C128H208Ar4S32 — CID 158531024

IUPACargon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane
SMILESC1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1CSC(=C2SCCS2)S1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC1=C(CC)SC(=C2SC(CC)=C(CC)S2)S1.CCC1SC(=C2SC(CC)C(CC)S2)SC1CC.[Ar].[Ar].[Ar].[Ar].c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2.c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2
InChIInChI=1S/2C14H8S4.C14H24S4.C14H20S4.C6H8S4.3C6H4S4.16C3H8.4Ar/c2*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*1-5-9-10(6-2)16-13(15-9)14-17-11(7-3)12(8-4)18-14;4*1-2-8-5(7-1)6-9-3-4-10-6;16*1-3-2;;;;/h2*1-8H;9-12H,5-8H2,1-4H3;5-8H2,1-4H3;1-4H2;3*1-4H;16*3H2,1-2H3;;;;
InChIKeyHNJDJIGAOHOQSA-UHFFFAOYSA-N
MW2933.01 g/mol
LogP62.92
Rot. Bonds8

About argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane

argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane (PubChem CID 158531024) has the molecular formula C128H208Ar4S32 and a molecular weight of 2933.01 g/mol. Its IUPAC name is argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane.

Molecular Properties

Compound Nameargon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane
PubChem CID158531024
Molecular FormulaC128H208Ar4S32
Molecular Weight2933.01 g/mol
Exact Mass2928.58
IUPAC Nameargon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane
SMILESC1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1CSC(=C2SCCS2)S1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC1=C(CC)SC(=C2SC(CC)=C(CC)S2)S1.CCC1SC(=C2SC(CC)C(CC)S2)SC1CC.[Ar].[Ar].[Ar].[Ar].c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2.c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2
InChIInChI=1S/2C14H8S4.C14H24S4.C14H20S4.C6H8S4.3C6H4S4.16C3H8.4Ar/c2*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*1-5-9-10(6-2)16-13(15-9)14-17-11(7-3)12(8-4)18-14;4*1-2-8-5(7-1)6-9-3-4-10-6;16*1-3-2;;;;/h2*1-8H;9-12H,5-8H2,1-4H3;5-8H2,1-4H3;1-4H2;3*1-4H;16*3H2,1-2H3;;;;
InChIKeyHNJDJIGAOHOQSA-UHFFFAOYSA-N
XLogP62.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds8
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.01
LogP ≤ 562.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane?
The IUPAC name of argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane (CID 158531024) is argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane.
What is the SMILES notation for argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane?
The canonical SMILES for argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane is C1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1CSC(=C2SCCS2)S1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC1=C(CC)SC(=C2SC(CC)=C(CC)S2)S1.CCC1SC(=C2SC(CC)C(CC)S2)SC1CC.[Ar].[Ar].[Ar].[Ar].c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2.c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2.
What is the InChIKey of argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane?
The InChIKey is HNJDJIGAOHOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H8S4.C14H24S4.C14H20S4.C6H8S4.3C6H4S4.16C3H8.4Ar/c2*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*1-5-9-10(6-2)16-13(15-9)14-17-11(7-3)12(8-4)18-14;4*1-2-8-5(7-1)6-9-3-4-10-6;16*1-3-2;;;;/h2*1-8H;9-12H,5-8H2,1-4H3;5-8H2,1-4H3;1-4H2;3*1-4H;16*3H2,1-2H3;;;;.
What are the key properties of argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane?
argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane has a molecular weight of 2933.01 g/mol, XLogP of 62.92, 8 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for argon;bis(2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole);2-(4,5-diethyl-1,3-dithiolan-2-ylidene)-4,5-diethyl-1,3-dithiolane;2-(4,5-diethyl-1,3-dithiol-2-ylidene)-4,5-diethyl-1,3-dithiole;2-(1,3-dithiolan-2-ylidene)-1,3-dithiolane;tris(2-(1,3-dithiol-2-ylidene)-1,3-dithiole);propane is sourced from PubChem (CID 158531024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).