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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene
CID 163198061
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 102336686
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
4-methyl-1-(4-methylphenyl)-2-methylsulfanylbenzene
CID 143364745
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 3555790
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
CID 86098596
tris[[2,6-bis(4-methylphenyl)phenyl]sulfanyl]bismuthane
CID 87490196
3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene
CID 59167085
2-methylsulfanyl-5-phenylthiophene;toluene
CID 175211838
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020

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).