4-((3-Bromophenyl)thio)butanoic acid

HCID 54515419
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Basic information

Standard SMILES
O=C(O)CCCSc1cccc(Br)c1
InChIKey
YMBZZUPFOYNFFF-UHFFFAOYSA-N
Molecular formula
C10H11BrO2S
Average molar mass
275.16 g/mol

Names & identifiers

Preferred name
4-((3-Bromophenyl)thio)butanoic acid
IUPAC
4-(3-bromophenyl)sulfanylbutanoic acid

Names & synonyms

4-((3-Bromophenyl)thio)butanoic acid129790-36-9SCHEMBL6191672YMBZZUPFOYNFFF-UHFFFAOYSA-N4-((3-Bromophenyl)thio)butanoicacid4-(m-bromophenylmercapto)butyric acidAKOS012100445

Database identifiers

PubChem CID
54515419

Properties

Computed structural properties

XLogP
3
Topological polar surface area
62.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Related reactions

5 records
New reaction record

Linked notes

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