(((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid

Base Information

• Chemical Name: (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid
• CAS No.: 84434-06-0
• Molecular Formula: C16H12 O3 S2
• Molecular Weight: 316.39468
• European Community (EC) Number: 282-804-3
• UNII: YN2ID0N5Y8
• DSSTox Substance ID: DTXSID20233398
• Nikkaji Number: J297.669B
• Wikidata: Q83114903
• Mol file: 84434-06-0.mol

Synonyms:84434-06-0;(((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid;EINECS 282-804-3;YN2ID0N5Y8;[[(9-Oxo-9H-thioxanthen-2-yl)methyl]thio]acetic acid;UNII-YN2ID0N5Y8;2-[(9-oxothioxanthen-2-yl)methylsulfanyl]acetic acid;DTXSID20233398;C16H12O3S2;C16-H12-O3-S2;2-(((9-OXO-9H-THIOXANTHEN-2-YL)METHYL)THIO)ACETIC ACID;ACETIC ACID, 2-(((9-OXO-9H-THIOXANTHEN-2-YL)METHYL)THIO)-

Chemical Property of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid

Chemical Property:

• Vapor Pressure: 4.85E-13mmHg at 25°C
• Boiling Point: 552.5°C at 760 mmHg
• Flash Point: 287.9°C
• PSA: 107.91000
• Density: 1.438g/cm³
• LogP: 3.73250
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 316.02278659
• Heavy Atom Count: 21
• Complexity: 412

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CSCC(=O)O

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