2-Amino-1,3-benzothiazole-6-carboxamide
Basic information
- CAS
111962-90-4- Standard SMILES
NC(=O)c1ccc2nc(N)sc2c1- InChIKey
HPRLVAQRFQEQPF-UHFFFAOYSA-N- Molecular formula
- C8H7N3OS
- Average molar mass
- 193.23 g/mol
- Monoisotopic mass
- 193.03098303
Names & identifiers
- Preferred name
- 2-Amino-1,3-benzothiazole-6-carboxamide
- IUPAC
- 2-amino-1,3-benzothiazole-6-carboxamide
- English name
- 6-Benzothiazolecarboxamide,2-amino-(9CI)
- Molecular formula
- C8H7N3OS
- Molecular weight
- 193.23
Names & synonyms
111962-90-42-Amino-1,3-benzothiazole-6-carboxamideDTXSID20345682RefChem:1062101DTXCID102967552-aminobenzothiazole-6-carboxamide2-Aminobenzo[d]thiazole-6-carboxamideMFCD01466259CHEMBL52718242-Amino-benzothiazole-6-carboxylic acid amide2-Amino-benzothiazole-6-carboxylic acidamide6-Benzothiazolecarboxamide,2-amino-(9CI)
Show more names
2-Amino-6-benzothiazolecarboxamide6-Benzothiazolecarboxamide, 2-amino-2-amino-1,3-benzothiazole-6-carboxamide(SALTDATA: FREE)
2-Aminobenzothiazol-6-carboxamide6KTSCHEMBL3113684SCHEMBL30563626HPRLVAQRFQEQPF-UHFFFAOYSA-NHMS1674M02SMSSF-0625777BDBM50613254
Database identifiers
- CAS
111962-90-4- PubChem CID
- 606347
- DTXSID
DTXSID20345682- ChEMBL
CHEMBL5271824
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 503 · 503.0±42.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- 15.73 · 15.73±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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