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Home Nitros 4-nitrothiobenzamide

4-nitrothiobenzamide

CAS No.:
26060-30-0
Catalog Number:
AG002RKL
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$64
- +
1g
97%
1 week
United States
$77
- +
Product Description
Catalog Number:
AG002RKL
Chemical Name:
4-nitrothiobenzamide
CAS Number:
26060-30-0
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD10018453
IUPAC Name:
4-nitrobenzenecarbothioamide
InChI:
InChI=1S/C7H6N2O2S/c8-7(12)5-1-3-6(4-2-5)9(10)11/h1-4H,(H2,8,12)
InChI Key:
MDBQPBMIZPCKAJ-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
[Chemical studies the mechanism of action of isoniazid]. Arzneimittel-Forschung 19661101
Properties