N-(4-isopropoxyphenyl)-3-mercaptobenzamide

HCID 66873006
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Basic information

Standard SMILES
CC(C)Oc1ccc(NC(=O)c2cccc(S)c2)cc1
InChIKey
KDWSHABZLZKGGZ-UHFFFAOYSA-N
Molecular formula
C16H17NO2S
Average molar mass
287.4 g/mol

Names & identifiers

Preferred name
N-(4-isopropoxyphenyl)-3-mercaptobenzamide
IUPAC
N-(4-propan-2-yloxyphenyl)-3-sulfanylbenzamide

Names & synonyms

SCHEMBL1002780KDWSHABZLZKGGZ-UHFFFAOYSA-NN-(4-isopropoxyphenyl)-3-mercaptobenzamide

Database identifiers

PubChem CID
66873006

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
39.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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