| CAS Number | 76857-14-2 |
| Catalog Number | AG00ICRU(AGN-PC-0UAMLD) |
| Chemical Name | Sodium 3-oxido-5-sulfidoisothiazole-4-carboxylate |
| IUPAC Name | trisodium;3-oxido-5-sulfido-1,2-thiazole-4-carboxylate |
| InChI | InChI=1S/C4H3NO3S2.3Na/c6-2-1(3(7)8)4(9)10-5-2;;;/h9H,(H,5,6)(H,7,8);;;/q;3*+1/p-3 |
| InChI Key | OUZADVMVJWLIDI-UHFFFAOYSA-K |
| MDL Number | MFCD07368004 |
| Molecular Formula | C4NNa3O3S2 |
| Molecular Weight | 243.1470 |
| SMILES | [Na+].[Na+].[Na+].[O-]C(=O)c1c([O-])nsc1[S-] |
| Synonyms | 76857-14-2,
Sodium 3-oxido-5-sulfidoisothiazole-4-carboxylate,
KS-00000JOK,
HMIT:3-Hydroxy-5-mercapto-4-isothiazolecarboxylic acid trisodium salt,
AKOS015963330,
AC-5583,
AK671058,
AN-10831,
3-Sodiooxy-5-sodiothioisothiazole-4-carboxylic acid sodium salt,
trisodium (3-oxido-5-thioxo-isothiazol-4-ylidene)methanediolate,
4-Isothiazolecarboxylic acid, 2,3-dihydro-5-mercapto-3-oxo-, trisodiumsalt,
CID11447884,
Trisodium (3-oxido-5-sulfanylidene-1,2-thiazol-4-ylidene)methanediolate,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.137g/mol |
| Monoisotopic Mass | 242.901g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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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