(4S)-4-benzylsulfanylcyclopent-2-en-1-one

C12H12OS — CID 101352200

IUPAC(4S)-4-benzylsulfanylcyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](SCc2ccccc2)C1
InChIInChI=1S/C12H12OS/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-7,12H,8-9H2/t12-/m1/s1
InChIKeyRDRSVOQWSQSGBB-GFCCVEGCSA-N
MW204.29 g/mol
LogP2.82
Rot. Bonds3

About (4S)-4-benzylsulfanylcyclopent-2-en-1-one

(4S)-4-benzylsulfanylcyclopent-2-en-1-one (PubChem CID 101352200) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (4S)-4-benzylsulfanylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-benzylsulfanylcyclopent-2-en-1-one
PubChem CID101352200
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(4S)-4-benzylsulfanylcyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](SCc2ccccc2)C1
InChIInChI=1S/C12H12OS/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-7,12H,8-9H2/t12-/m1/s1
InChIKeyRDRSVOQWSQSGBB-GFCCVEGCSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4,5-diphenylcyclohex-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzylsulfanylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-benzylsulfanylcyclopent-2-en-1-one (CID 101352200) is (4S)-4-benzylsulfanylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-benzylsulfanylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-benzylsulfanylcyclopent-2-en-1-one is O=C1C=C[C@@H](SCc2ccccc2)C1.
What is the InChIKey of (4S)-4-benzylsulfanylcyclopent-2-en-1-one?
The InChIKey is RDRSVOQWSQSGBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12OS/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-7,12H,8-9H2/t12-/m1/s1.
What are the key properties of (4S)-4-benzylsulfanylcyclopent-2-en-1-one?
(4S)-4-benzylsulfanylcyclopent-2-en-1-one has a molecular weight of 204.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzylsulfanylcyclopent-2-en-1-one is sourced from PubChem (CID 101352200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).