| CAS Number | 100097-66-3 |
| Catalog Number | AG0000WL(AGN-PC-0NFMCF) |
| Chemical Name | 5-Amino-1,2,3-thiadiazole-4-carbothioamide |
| IUPAC Name | 5-aminothiadiazole-4-carbothioamide |
| InChI | InChI=1S/C3H4N4S2/c4-2(8)1-3(5)9-7-6-1/h5H2,(H2,4,8) |
| InChI Key | XBSUFSWYJXYZSW-UHFFFAOYSA-N |
| MDL Number | MFCD20690872 |
| Molecular Formula | C3H4N4S2 |
| Molecular Weight | 160.2207 |
| SMILES | NC(C1=C(N)SN=N1)=S |
| Synonyms | 5-Amino-1,2,3-thiadiazole-4-carbothioamide,
1,2,3-Thiadiazole-4-carbothioamide, 5-amino-,
100097-66-3,
ACMC-20m36f,
CTK0E0344,
XBSUFSWYJXYZSW-UHFFFAOYSA-,
DTXSID40454563,
ZINC38220361,
InChI=1/C3H4N4S2/c4-2(8)1-3(5)9-7-6-1/h5H2,(H2,4,8),
5-aminothiadiazole-4-carbothioamide,
CID11084170,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.213g/mol |
| Monoisotopic Mass | 159.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number