4-(Methanesulfinyl)-4-(methylsulfanyl)cyclopent-1-ene

HCID 13298796CAS 57260-93-2
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Basic information

Standard SMILES
CSC1(S(C)=O)CC=CC1
InChIKey
YETVGCPZPZAXSB-UHFFFAOYSA-N
Molecular formula
C7H12OS2
Average molar mass
176.3 g/mol
Monoisotopic mass
176.032957

Names & identifiers

Preferred name
4-(Methanesulfinyl)-4-(methylsulfanyl)cyclopent-1-ene
IUPAC
4-methylsulfanyl-4-methylsulfinylcyclopentene

Names & synonyms

57260-93-2DTXSID905355984-(Methanesulfinyl)-4-(methylsulfanyl)cyclopent-1-eneRefChem:289131DTXCID20486387YETVGCPZPZAXSB-UHFFFAOYSA-N3-cyclopentenone dimethyl mercaptal S-oxide

Database identifiers

CAS
57260-93-2
PubChem CID
13298796
DTXSID
DTXSID90535598

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
61.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
10

Related reactions

3 records
New reaction record

Linked notes

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