| CAS Number | 1445951-16-5 |
| Catalog Number | AG00HX4F(AGN-PC-0WG3UU) |
| Chemical Name | 5-Cyclopropyl-1,2,3-thiadiazole-4-carboxylic acid |
| IUPAC Name | 5-cyclopropylthiadiazole-4-carboxylic acid |
| InChI | InChI=1S/C6H6N2O2S/c9-6(10)4-5(3-1-2-3)11-8-7-4/h3H,1-2H2,(H,9,10) |
| InChI Key | DDSNHSMHDHQLHO-UHFFFAOYSA-N |
| MDL Number | MFCD28154692 |
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.1890 |
| SMILES | OC(C1=C(C2CC2)SN=N1)=O |
| Synonyms | 5-Cyclopropyl-1,2,3-thiadiazole-4-carboxylic acid,
1445951-16-5,
MFCD25509424,
ZINC82401091,
CS-0038097,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.186g/mol |
| Monoisotopic Mass | 170.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number