1-Benzylthiolan-1-ium

HCID 498219
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Basic information

Standard SMILES
c1ccc(C[S+]2CCCC2)cc1
InChIKey
AOQAYBCERCSGDQ-UHFFFAOYSA-N
Molecular formula
C11H15S+
Average molar mass
179.3 g/mol

Names & identifiers

Preferred name
1-Benzylthiolan-1-ium
IUPAC
1-benzylthiolan-1-ium

Names & synonyms

SCHEMBL1128002InChI=1/C11H15S/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2/q+

Database identifiers

PubChem CID
498219
Nikkaji
J596.159I

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
12

Related reactions

1 records
New reaction record

Linked notes

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