| CAS Number | 852400-37-4 |
| Catalog Number | AG00IDLS(AGN-PC-0WR4I0) |
| Chemical Name | 5-(Cyclopropylamino)-1,3,4-thiadiazole-2-thiol |
| IUPAC Name | 5-(cyclopropylamino)-3H-1,3,4-thiadiazole-2-thione |
| InChI | InChI=1S/C5H7N3S2/c9-5-8-7-4(10-5)6-3-1-2-3/h3H,1-2H2,(H,6,7)(H,8,9) |
| InChI Key | RBPGSAZBLLEDHB-UHFFFAOYSA-N |
| MDL Number | MFCD06655524 |
| Molecular Formula | C5H7N3S2 |
| Molecular Weight | 173.2592 |
| SMILES | SC1SC(NC2CC2)=NN=1 |
| Synonyms | 5-(cyclopropylamino)-1,3,4-thiadiazole-2-thiol,
852400-37-4,
AC1NLQ3B,
AC1Q7GKL,
SCHEMBL10984459,
CTK8A8692,
HMS1780P22,
ZINC8554300,
MFCD06655524,
AKOS008987479,
MCULE-5940100280,
NE13373,
EN300-12831,
5-(cyclopropylamino)-3H-1,3,4-thiadiazole-2-thione,
Z85934877,
ZINC04205866,
CID4962084,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.252g/mol |
| Monoisotopic Mass | 173.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number