| CAS Number | 1173146-92-3 |
| Catalog Number | AG01A754(AGN-PC-0WO8D5) |
| Chemical Name | 3-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]aniline |
| IUPAC Name | 3-(5-methylsulfanyltetrazol-1-yl)aniline |
| InChI | InChI=1S/C8H9N5S/c1-14-8-10-11-12-13(8)7-4-2-3-6(9)5-7/h2-5H,9H2,1H3 |
| InChI Key | AWOZMYKEBAMZQC-UHFFFAOYSA-N |
| MDL Number | MFCD16622021 |
| Molecular Formula | C8H9N5S |
| Molecular Weight | 207.2556 |
| SMILES | CSC1N(C2=CC(N)=CC=C2)N=NN=1 |
| Synonyms | 3-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]aniline,
1173146-92-3,
AC1Q4H8M,
SCHEMBL10664251,
ZINC20282275,
AKOS026728787,
MCULE-4868407077,
NE30185,
EN300-57756,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.255g/mol |
| Monoisotopic Mass | 207.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number