Home Other Building Blocks 2-Nitro-4-thiocyanatoaniline

2-Nitro-4-thiocyanatoaniline

CAS No.:
54029-45-7
Catalog Number:
AG0033ET
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$82
- +
25g
95%
In Stock USA
United States
$250
- +
100g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0033ET
Chemical Name:
2-Nitro-4-thiocyanatoaniline
CAS Number:
54029-45-7
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD00463878
IUPAC Name:
(4-amino-3-nitrophenyl) thiocyanate
InChI:
InChI=1S/C7H5N3O2S/c8-4-13-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2
InChI Key:
QUWHIBBGKKRYFW-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(c(c1)[N+](=O)[O-])N
EC Number:
258-931-5
UNII:
P5R584ZAAL
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties