2-phenylsulfanyl-1-thiophen-2-ylethanone

C12H10OS2 — CID 11042682

IUPAC2-phenylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccccc1)c1cccs1
InChIInChI=1S/C12H10OS2/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyRLPCAMGTCCKMDO-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.72
Rot. Bonds4

About 2-phenylsulfanyl-1-thiophen-2-ylethanone

2-phenylsulfanyl-1-thiophen-2-ylethanone (PubChem CID 11042682) has the molecular formula C12H10OS2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-phenylsulfanyl-1-thiophen-2-ylethanone
PubChem CID11042682
Molecular FormulaC12H10OS2
Molecular Weight234.35 g/mol
Exact Mass234.02
IUPAC Name2-phenylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccccc1)c1cccs1
InChIInChI=1S/C12H10OS2/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyRLPCAMGTCCKMDO-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
CID 56785076
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2414449
2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
CID 3876278
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 2573300
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
3-(2-oxo-2-thiophen-2-ylethyl)sulfanylpropanoic acid
CID 71162297
CID 134847075
CID 134847075
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 7994479
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383
N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19629990
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-phenylsulfanyl-1-thiophen-2-ylethanone (CID 11042682) is 2-phenylsulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-phenylsulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-phenylsulfanyl-1-thiophen-2-ylethanone is O=C(CSc1ccccc1)c1cccs1.
What is the InChIKey of 2-phenylsulfanyl-1-thiophen-2-ylethanone?
The InChIKey is RLPCAMGTCCKMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS2/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-phenylsulfanyl-1-thiophen-2-ylethanone?
2-phenylsulfanyl-1-thiophen-2-ylethanone has a molecular weight of 234.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 11042682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).