| CAS Number | 31431-10-4 |
| Catalog Number | AG01CCIU(AGN-PC-0N652O) |
| Chemical Name | Benzenamine, 5-(methylthio)-2-nitro- |
| IUPAC Name | 5-methylsulfanyl-2-nitroaniline |
| InChI | InChI=1S/C7H8N2O2S/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3 |
| InChI Key | NWHJZKYOSJGALD-UHFFFAOYSA-N |
| MDL Number | MFCD27949222 |
| Molecular Formula | C7H8N2O2S |
| Molecular Weight | 184.2156 |
| SMILES | CSC=1C=CC(=C(N)C1)[N+](=O)[O-] |
| Synonyms | 5-methylthio-2-nitroaniline,
31431-10-4,
5-methylsulfanyl-2-nitro-aniline,
5-(methylthio)-2-nitrobenzenamine,
CID10535482,
SCHEMBL914291,
2-Nitro-5-(methylthio)aniline,
5-(methylthio)-2-nitroaniline,
NWHJZKYOSJGALD-UHFFFAOYSA-N,
5-(Methylsulfanyl)-2-nitroaniline,
2-amino-4-methylthio-1-nitrobenzene,
AKOS027447741,
Benzenamine, 5-(methylthio)-2-nitro-,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.213g/mol |
| Monoisotopic Mass | 184.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number