200,000+ products from a single source!
sales@angenechem.com
2521-24-6 | Benzenecarbothioamide, 4-chloro-
CAS No: 2521-24-6 Catalog No: AG002QY1 MDL No:MFCD00040956
Product Description
Catalog Number:
AG002QY1
Chemical Name:
Benzenecarbothioamide, 4-chloro-
CAS Number:
2521-24-6
Molecular Formula:
C7H6ClNS
Molecular Weight:
171.6472
MDL Number:
MFCD00040956
IUPAC Name:
4-chlorobenzenecarbothioamide
InChI:
InChI=1S/C7H6ClNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:
OKPUICCJRDBRJT-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.642g/mol
Monoisotopic Mass:
170.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 3-Methyl-thio-benzamide. | Acta crystallographica. Section E, Structure reports online 20090601 |
| 4-Chloro-benzothio-amide. | Acta crystallographica. Section E, Structure reports online 20090501 |
| [Chemical studies the mechanism of action of isoniazid]. | Arzneimittel-Forschung 19661101 |
Related Products
© 2019 Angene International Limited. All rights Reserved.