Home Other Building Blocks 2-Nitro-5-(propylthio)aniline

2-Nitro-5-(propylthio)aniline

CAS No.:
57780-75-3
Catalog Number:
AG003CR5
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$73
- +
5g
99%
1 week
United States
$163
- +
Product Description
Catalog Number:
AG003CR5
Chemical Name:
2-Nitro-5-(propylthio)aniline
CAS Number:
57780-75-3
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD00192355
IUPAC Name:
2-nitro-5-propylsulfanylaniline
InChI:
InChI=1S/C9H12N2O2S/c1-2-5-14-7-3-4-9(11(12)13)8(10)6-7/h3-4,6H,2,5,10H2,1H3
InChI Key:
NLCPQMUVBQILMA-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties