| CAS Number | 16942-64-6 |
| Catalog Number | AG019VVZ(AGN-PC-01UC29) |
| Chemical Name | 5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-amine |
| IUPAC Name | 5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C10H9N3O2S/c1-6-9(12-10(11)16-6)7-3-2-4-8(5-7)13(14)15/h2-5H,1H3,(H2,11,12) |
| InChI Key | UCQJNHUDJFAASX-UHFFFAOYSA-N |
| MDL Number | MFCD11133113 |
| Molecular Formula | C10H9N3O2S |
| Molecular Weight | 235.2624 |
| SMILES | CC1=C(C2=CC([N+]([O-])=O)=CC=C2)N=C(N)S1 |
| Synonyms | 5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-amine,
16942-64-6,
AC1Q2FM1,
CTK7E1628,
ZINC36379546,
AKOS008121982,
MCULE-7073773367,
NE18163,
NCGC00185797-01,
EN300-49688,
Z234893291,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.261g/mol |
| Monoisotopic Mass | 235.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number