Benzyl-phosphonothioic acid

Base Information

• Chemical Name: Benzyl-phosphonothioic acid
• CAS No.: 13991-83-8
• Molecular Formula: C7H9O2PS
• DSSTox Substance ID: DTXSID401287768
• ChEMBL ID: CHEMBL123163

Synonyms:Benzyl-phosphonothioic acid;CHEMBL123163;13991-83-8;SCHEMBL6310521;DTXSID401287768;BDBM50131861;Phosphonothioic acid, (phenylmethyl)-

Chemical Property of Benzyl-phosphonothioic acid

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.00608770
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CP(=S)(O)O

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