Basic information
- CAS
45654-48-6- Standard SMILES
O=C(O)c1ns[nH]c1=O- InChIKey
FVZITYNLUYJDOE-UHFFFAOYSA-N- Molecular formula
- C3H2N2O3S
- Average molar mass
- 146.13 g/mol
- Monoisotopic mass
- 145.9786131
Names & identifiers
- Preferred name
- 4-Hydroxy-1,2,5-Thiadiazole-3-Carboxylic Acid
- IUPAC
- 4-oxo-1,2,5-thiadiazole-3-carboxylic acid
- English name
- 1,2,5-Thiadiazole-3-carboxylicacid,4,5-dihydro-4-oxo-(9CI)
- Molecular formula
- C3H2N2O3S
- Molecular weight
- 146.12
Names & synonyms
4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID45654-48-64-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acidRefChem:523669841-924-14-oxo-1,2,5-thiadiazole-3-carboxylic acidCHEMBL1232973LDHA Inhibitor, 11,2,5-Thiadiazole-3-carboxylicacid,4,5-dihydro-4-oxo-(9CI)GBD1,2,5-Thiadiazole, TDA1SCHEMBL2573610
Show more names
1,2,5-Thiadiazole-3-carboxylic acid, 4,5-dihydro-4-oxo-
BDBM23251VBA65448BDBM50609130EBC-06160AKOS006380523DB031623-Hydroxy-1,2,5-thiadiazol-carbonsaeurePD007331
Database identifiers
- CAS
45654-48-6- PubChem CID
- 448652
- ChEMBL
CHEMBL1232973- EC Number
- 841-924-1
- Nikkaji
- J2.078.096G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 204 · 204-205 °C
- Density
- 2.15 · 2.15±0.1 g/cm3(Predicted)
- pka
- 7.72 · 7.72±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
CHEMSTEP[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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