2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene

C20H20S3 — CID 129038099

IUPAC2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene
SMILESCSc1c(-c2ccc(C)cc2)sc(-c2ccc(C)cc2)c1SC
InChIInChI=1S/C20H20S3/c1-13-5-9-15(10-6-13)17-19(21-3)20(22-4)18(23-17)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyXAVIJACKKPJNMH-UHFFFAOYSA-N
MW356.58 g/mol
LogP7.14
Rot. Bonds4

About 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene

2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene (PubChem CID 129038099) has the molecular formula C20H20S3 and a molecular weight of 356.58 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene
PubChem CID129038099
Molecular FormulaC20H20S3
Molecular Weight356.58 g/mol
Exact Mass356.07
IUPAC Name2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene
SMILESCSc1c(-c2ccc(C)cc2)sc(-c2ccc(C)cc2)c1SC
InChIInChI=1S/C20H20S3/c1-13-5-9-15(10-6-13)17-19(21-3)20(22-4)18(23-17)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyXAVIJACKKPJNMH-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene?
The IUPAC name of 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene (CID 129038099) is 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene.
What is the SMILES notation for 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene?
The canonical SMILES for 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene is CSc1c(-c2ccc(C)cc2)sc(-c2ccc(C)cc2)c1SC.
What is the InChIKey of 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene?
The InChIKey is XAVIJACKKPJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20S3/c1-13-5-9-15(10-6-13)17-19(21-3)20(22-4)18(23-17)16-11-7-14(2)8-12-16/h5-12H,1-4H3.
What are the key properties of 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene?
2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene has a molecular weight of 356.58 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylphenyl)-3,4-bis(methylsulfanyl)thiophene is sourced from PubChem (CID 129038099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).