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4-[(Phenylsulfanyl)methyl]benzoic acid
[CAS# 89797-56-8]

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Identification
Name 4-[(Phenylsulfanyl)methyl]benzoic acid
Synonyms 4-(phenylthiomethyl)benzoic acid; 4-[(phenylsulfanyl)methyl]benzoic acid; 4-[(phenylthio)methyl]benzoic acid
Molecular Structure CAS#: 89797-56-8, 4-[(Phenylsulfanyl)methyl]benzoic acid
Molecular Formula C14H12O2S
Molecular Weight 244.31
CAS Registry Number 89797-56-8
SMILES O=C(O)c1ccc(cc1)CSc2ccccc2
InChI 1S/C14H12O2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
InChIKey PPCGTVWKHISHFJ-UHFFFAOYSA-N
Properties
Density 1.276g/cm3 (Cal.)
Boiling point 426.158°C at 760 mmHg (Cal.)
Flash point 211.533°C (Cal.)
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