3-methylsulfanyl-2-phenyl-1-benzothiophene

C15H12S2 — CID 15572646

IUPAC3-methylsulfanyl-2-phenyl-1-benzothiophene
SMILESCSc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H12S2/c1-16-15-12-9-5-6-10-13(12)17-14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyFJKZGCXMJSWJEO-UHFFFAOYSA-N
MW256.40 g/mol
LogP5.29
Rot. Bonds2

About 3-methylsulfanyl-2-phenyl-1-benzothiophene

3-methylsulfanyl-2-phenyl-1-benzothiophene (PubChem CID 15572646) has the molecular formula C15H12S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 3-methylsulfanyl-2-phenyl-1-benzothiophene.

Molecular Properties

Compound Name3-methylsulfanyl-2-phenyl-1-benzothiophene
PubChem CID15572646
Molecular FormulaC15H12S2
Molecular Weight256.40 g/mol
Exact Mass256.04
IUPAC Name3-methylsulfanyl-2-phenyl-1-benzothiophene
SMILESCSc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H12S2/c1-16-15-12-9-5-6-10-13(12)17-14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyFJKZGCXMJSWJEO-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzothiophene
CID 3023
Benzo(B)Thiophene
CID 7221
4,6-Dimethyldibenzothiophene
CID 71012
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
5-Methylbenzo(b)thiophene
CID 84346
4-Iododibenzothiophene
CID 458353
2,5-Diphenylthiophene
CID 74050
1,3-Diphenylisobenzothiophene
CID 282476
Benzothiophene, 4,5,6,7-tetrahydro-
CID 22946
2-Iodobenzothiophene
CID 11470946
2-Methyl-dibenzothiophene
CID 35700

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-phenyl-1-benzothiophene?
The IUPAC name of 3-methylsulfanyl-2-phenyl-1-benzothiophene (CID 15572646) is 3-methylsulfanyl-2-phenyl-1-benzothiophene.
What is the SMILES notation for 3-methylsulfanyl-2-phenyl-1-benzothiophene?
The canonical SMILES for 3-methylsulfanyl-2-phenyl-1-benzothiophene is CSc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 3-methylsulfanyl-2-phenyl-1-benzothiophene?
The InChIKey is FJKZGCXMJSWJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S2/c1-16-15-12-9-5-6-10-13(12)17-14(15)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 3-methylsulfanyl-2-phenyl-1-benzothiophene?
3-methylsulfanyl-2-phenyl-1-benzothiophene has a molecular weight of 256.40 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-phenyl-1-benzothiophene is sourced from PubChem (CID 15572646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).