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188679-30-3 | Benzamide, 2-chloro-N-[(dimethylamino)thioxomethyl]-
CAS No: 188679-30-3 Catalog No: AG002H5B MDL No:
Product Description
Catalog Number:
AG002H5B
Chemical Name:
Benzamide, 2-chloro-N-[(dimethylamino)thioxomethyl]-
CAS Number:
188679-30-3
Molecular Formula:
C10H11ClN2OS
Molecular Weight:
242.7251
IUPAC Name:
2-chloro-N-(dimethylcarbamothioyl)benzamide
InChI:
InChI=1S/C10H11ClN2OS/c1-13(2)10(15)12-9(14)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,14,15)
InChI Key:
ZWDRIFKTNKRKOI-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)NC(=O)c1ccccc1Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.721g/mol
Monoisotopic Mass:
242.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Normal coordinate analysis and crystal structure of N,N-dimethyl-N'-(2-chloro-benzoyl)thiourea. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060701 |
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