2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole

C14H12S6 — CID 139202614

IUPAC2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole
SMILESCc1sc(C)c2c1SC(=C1Sc3c(C)sc(C)c3S1)S2
InChIInChI=1S/C14H12S6/c1-5-9-10(6(2)15-5)18-13(17-9)14-19-11-7(3)16-8(4)12(11)20-14/h1-4H3
InChIKeyNAHCMYVOLVPALN-UHFFFAOYSA-N
MW372.65 g/mol
LogP7.27
Rot. Bonds

About 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole

2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole (PubChem CID 139202614) has the molecular formula C14H12S6 and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole.

Molecular Properties

Compound Name2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole
PubChem CID139202614
Molecular FormulaC14H12S6
Molecular Weight372.65 g/mol
Exact Mass371.93
IUPAC Name2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole
SMILESCc1sc(C)c2c1SC(=C1Sc3c(C)sc(C)c3S1)S2
InChIInChI=1S/C14H12S6/c1-5-9-10(6(2)15-5)18-13(17-9)14-19-11-7(3)16-8(4)12(11)20-14/h1-4H3
InChIKeyNAHCMYVOLVPALN-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole?
The IUPAC name of 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole (CID 139202614) is 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole.
What is the SMILES notation for 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole?
The canonical SMILES for 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole is Cc1sc(C)c2c1SC(=C1Sc3c(C)sc(C)c3S1)S2.
What is the InChIKey of 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole?
The InChIKey is NAHCMYVOLVPALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S6/c1-5-9-10(6(2)15-5)18-13(17-9)14-19-11-7(3)16-8(4)12(11)20-14/h1-4H3.
What are the key properties of 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole?
2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole has a molecular weight of 372.65 g/mol, XLogP of 7.27, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylthieno[3,4-d][1,3]dithiol-2-ylidene)-4,6-dimethylthieno[3,4-d][1,3]dithiole is sourced from PubChem (CID 139202614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).