1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene

C14H14S3 — CID 759362

IUPAC1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
SMILESCSc1ccc(Sc2ccc(SC)cc2)cc1
InChIInChI=1S/C14H14S3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKeyGQUSUMUJMZGXSS-UHFFFAOYSA-N
MW278.47 g/mol
LogP5.28
Rot. Bonds4

About 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene

1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene (PubChem CID 759362) has the molecular formula C14H14S3 and a molecular weight of 278.47 g/mol. Its IUPAC name is 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
PubChem CID759362
Molecular FormulaC14H14S3
Molecular Weight278.47 g/mol
Exact Mass278.03
IUPAC Name1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
SMILESCSc1ccc(Sc2ccc(SC)cc2)cc1
InChIInChI=1S/C14H14S3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKeyGQUSUMUJMZGXSS-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
The IUPAC name of 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene (CID 759362) is 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
The canonical SMILES for 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene is CSc1ccc(Sc2ccc(SC)cc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
The InChIKey is GQUSUMUJMZGXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene has a molecular weight of 278.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene is sourced from PubChem (CID 759362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).