Home Other Building Blocks benzenecarbothioyl chloride

benzenecarbothioyl chloride

CAS No.:
3335-22-6
Catalog Number:
AG01E70O
Molecular Formula:
C7H5ClS
Molecular Weight:
156.6326
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Product Description
Catalog Number:
AG01E70O
Chemical Name:
benzenecarbothioyl chloride
CAS Number:
3335-22-6
Molecular Formula:
C7H5ClS
Molecular Weight:
156.6326
MDL Number:
MFCD00005428
IUPAC Name:
benzenecarbothioyl chloride
InChI:
InChI=1S/C7H5ClS/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChI Key:
MNUYNGXMQRGJSJ-UHFFFAOYSA-N
SMILES:
ClC(=S)c1ccccc1
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.98g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.627g/mol
Monoisotopic Mass:
155.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Disparate behavior of carbonyl and thiocarbonyl compounds: acyl chlorides vs thiocarbonyl chlorides and isocyanates vs isothiocyanates. The Journal of organic chemistry 20090515
Properties