| CAS Number | 127507-89-5 |
| Catalog Number | AG00IUBB(AGN-PC-0WAZGX) |
| Chemical Name | 4-Chloro-5-nitro-1,3-thiazol-2-ylamine |
| IUPAC Name | 4-chloro-5-nitro-1,3-thiazol-2-amine |
| InChI | InChI=1S/C3H2ClN3O2S/c4-1-2(7(8)9)10-3(5)6-1/h(H2,5,6) |
| InChI Key | CQQXMAUNJJIUJE-UHFFFAOYSA-N |
| MDL Number | MFCD20921569 |
| Molecular Formula | C3H2ClN3O2S |
| Molecular Weight | 179.5849 |
| SMILES | ClC=1(N=C(N)SC=1[N+](=O)[O-]) |
| Synonyms | 4-chloro-5-nitro-1,3-thiazol-2-ylamine,
127507-89-5,
4-chloro-5-nitro-1,3-thiazol-2-amine,
chloronitrothiazolylamine,
SCHEMBL375913,
CQQXMAUNJJIUJE-UHFFFAOYSA-N,
2-amino-4-chloro-5-nitrothiazole,
ZX-RL003374,
MFCD20921569,
ZINC34450349,
AKOS015991420,
FCH3747251,
FD-0253,
MCULE-1408602857,
RP10851,
KS-0000252E,
OR310123,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.578g/mol |
| Monoisotopic Mass | 178.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number