Home Nitros Benzeneethanethioamide,4-nitro-

Benzeneethanethioamide,4-nitro-

CAS No.:
76254-70-1
Catalog Number:
AG005RCZ
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
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Product Description
Catalog Number:
AG005RCZ
Chemical Name:
Benzeneethanethioamide,4-nitro-
CAS Number:
76254-70-1
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD00278445
IUPAC Name:
2-(4-nitrophenyl)ethanethioamide
InChI:
InChI=1S/C8H8N2O2S/c9-8(13)5-6-1-3-7(4-2-6)10(11)12/h1-4H,5H2,(H2,9,13)
InChI Key:
NTDKSXYIORROEJ-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties