| CAS Number | 1019390-35-2 |
| Catalog Number | AG01A87V(AGN-PC-0WO9GP) |
| Chemical Name | 5-chloro-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]aniline |
| IUPAC Name | 5-chloro-2-(1-methyltetrazol-5-yl)sulfanylaniline |
| InChI | InChI=1S/C8H8ClN5S/c1-14-8(11-12-13-14)15-7-3-2-5(9)4-6(7)10/h2-4H,10H2,1H3 |
| InChI Key | MIYSDESIDYVDQL-UHFFFAOYSA-N |
| MDL Number | MFCD11132293 |
| Molecular Formula | C8H8ClN5S |
| Molecular Weight | 241.7006 |
| SMILES | CN1C(SC2=C(N)C=C(Cl)C=C2)=NN=N1 |
| Synonyms | 5-chloro-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]aniline,
1019390-35-2,
AC1Q40FS,
CTK6G8569,
ZINC19845512,
AKOS000215117,
MCULE-1043541541,
NE36378,
EN300-60961,
Z1262250810,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.697g/mol |
| Monoisotopic Mass | 241.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number