| CAS Number | 871497-69-7 |
| Catalog Number | AG00IEDW(AGN-PC-0WR4G1) |
| Chemical Name | 5-(Sec-butylamino)-1,3,4-thiadiazole-2-thiol |
| IUPAC Name | 5-(butan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione |
| InChI | InChI=1S/C6H11N3S2/c1-3-4(2)7-5-8-9-6(10)11-5/h4H,3H2,1-2H3,(H,7,8)(H,9,10) |
| InChI Key | MWKXOVRSXKLPFR-UHFFFAOYSA-N |
| MDL Number | MFCD07366428 |
| Molecular Formula | C6H11N3S2 |
| Molecular Weight | 189.3016 |
| SMILES | CCC(NC1SC(S)=NN=1)C |
| Synonyms | 5-(sec-butylamino)-1,3,4-thiadiazole-2-thiol,
871497-69-7,
AKOS017279068,
MCULE-9521818442,
NE62397,
EN300-14874,
5-[(butan-2-yl)amino]-1,3,4-thiadiazole-2-thiol,
2-sec.butylamino-5-mercapto-1,3,4-thiadiazole,
AC1Q2SC3,
SCHEMBL10981855,
CTK6B0197,
MFCD07366428,
AKOS000118268,
AKOS008058335,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.295g/mol |
| Monoisotopic Mass | 189.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number