2-(Naphthalene-1-ylsulfanyl)-benzoic acid

HCID 3307155
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Basic information

Standard SMILES
O=C(O)c1ccccc1Sc1cccc2ccccc12
InChIKey
NWIXWWXCNJCGKM-UHFFFAOYSA-N
Molecular formula
C17H12O2S
Average molar mass
280.3 g/mol

Names & identifiers

Preferred name
2-(Naphthalene-1-ylsulfanyl)-benzoic acid
IUPAC
2-naphthalen-1-ylsulfanylbenzoic acid

Names & synonyms

Oprea1_540505SCHEMBL5659496NWIXWWXCNJCGKM-UHFFFAOYSA-N2-(naphthalene-1-ylsulfanyl)-benzoic acid

Database identifiers

PubChem CID
3307155

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
62.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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2-(Naphthalene-1-ylsulfanyl)-benzoic acid (HCID 3307155)｜Huagongshe