Home Aminos 4-Dimethylamino-thiobenzamide

4-Dimethylamino-thiobenzamide

CAS No.:
4714-69-6
Catalog Number:
AG00DBDZ
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
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Product Description
Catalog Number:
AG00DBDZ
Chemical Name:
4-Dimethylamino-thiobenzamide
CAS Number:
4714-69-6
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD03426573
IUPAC Name:
4-(dimethylamino)benzenecarbothioamide
InChI:
InChI=1S/C9H12N2S/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChI Key:
VBQDGXAMTXINAS-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(=S)N)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
[Chemical studies the mechanism of action of isoniazid]. Arzneimittel-Forschung 19661101
Antituberculous compounds. XXVII. Monoalkylaminobenzothioamides. Journal of medicinal chemistry 19651101
Properties