sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 2-Thiophenamine, 3,5-dinitro-

2-Thiophenamine, 3,5-dinitro-

CAS No.:
2045-70-7
Catalog Number:
AG0029JE
Molecular Formula:
C4H3N3O4S
Molecular Weight:
189.1493
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$155
- +
5g
98%(HPLC)
In Stock USA
United States
$483
- +
25g
98%(HPLC)
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG0029JE
Chemical Name:
2-Thiophenamine, 3,5-dinitro-
CAS Number:
2045-70-7
Molecular Formula:
C4H3N3O4S
Molecular Weight:
189.1493
MDL Number:
MFCD00100126
IUPAC Name:
3,5-dinitrothiophen-2-amine
InChI:
InChI=1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2
InChI Key:
DZRZHFOFVWAKGT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sc(c(c1)[N+](=O)[O-])N
EC Number:
218-065-0
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.984g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.145g/mol
Monoisotopic Mass:
188.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties