6-(Phenylthio)-o-anisic acid

Base Information

• Chemical Name: 6-(Phenylthio)-o-anisic acid
• CAS No.: 84434-14-0
• Molecular Formula: C14H12 O3 S
• Molecular Weight: 260.30828
• Hs Code.: 2930909090
• European Community (EC) Number: 282-813-2
• UNII: G7D0YY0CAI
• DSSTox Substance ID: DTXSID90233401
• Nikkaji Number: J297.675G
• Wikidata: Q83114906
• Mol file: 84434-14-0.mol

Synonyms:6-(Phenylthio)-o-anisic acid;84434-14-0;G7D0YY0CAI;EINECS 282-813-2;UNII-G7D0YY0CAI;2-Methoxy-6-(phenylthio)benzoic acid;DTXSID90233401;BENZOIC ACID, 2-METHOXY-6-(PHENYLTHIO)-

Chemical Property of 6-(Phenylthio)-o-anisic acid

Chemical Property:

• Vapor Pressure: 1.29E-07mmHg at 25°C
• Boiling Point: 414.6°C at 760 mmHg
• Flash Point: 204.6°C
• PSA: 71.83000
• Density: 1.32g/cm³
• LogP: 3.54460
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.05071541
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)SC2=CC=CC=C2)C(=O)O