| CAS Number | 77695-07-9 |
| Catalog Number | AG01B1TN(AGN-PC-023JMB) |
| Chemical Name | N-(prop-2-en-1-yl)-1,2,3,4-thiatriazol-5-amine |
| IUPAC Name | N-prop-2-enylthiatriazol-5-amine |
| InChI | InChI=1S/C4H6N4S/c1-2-3-5-4-6-7-8-9-4/h2H,1,3H2,(H,5,6,8) |
| InChI Key | OJTPXTWMPSNJGT-UHFFFAOYSA-N |
| MDL Number | MFCD11850874 |
| Molecular Formula | C4H6N4S |
| Molecular Weight | 142.1822 |
| SMILES | C=CCNC1SN=NN=1 |
| Synonyms | 77695-07-9,
N-(prop-2-en-1-yl)-1,2,3,4-thiatriazol-5-amine,
SCHEMBL9405274,
ZINC32603397,
AKOS006352110,
N-allyl-1,2,3,4-thiatriazol-5-amine,
4-oxo-1-phenylazetidine-2-carboxylic acid,
|
| Complexity | 96.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.18g/mol |
| Monoisotopic Mass | 142.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number