Cas no 110922-46-8 (Benzoyl chloride,4-mercapto-)
Benzoyl chloride,4-mercapto- structure
Product Name:Benzoyl chloride,4-mercapto-
CAS No:110922-46-8
MF:C7H5ClOS
MW:172.631999731064
CID:129019
PubChem ID:14936891
Update Time:2025-04-18
Benzoyl chloride,4-mercapto- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,4-mercapto-
- Benzoyl chloride, 4-mercapto- (9CI)
- 4-Sulfanylbenzoyl chloride
- 110922-46-8
- SCHEMBL6511404
-
- Inchi： 1S/C7H5ClOS/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H
- InChI Key： PIGPGBJMESGOTG-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)S)=O
Computed Properties
- Exact Mass: 171.97505
- Monoisotopic Mass: 171.9749636g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 18.1?2
Experimental Properties
- PSA: 17.07
Benzoyl chloride,4-mercapto- Related Literature
-
1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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