Basic information
- CAS
21951-32-6- Standard SMILES
Nc1nc2ccc(S(=O)(=O)O)cc2s1- InChIKey
CKAGMVXJHAZUBL-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3S2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 229.9819844
Names & identifiers
- Preferred name
- 2-Aminobenzothiazole-6-sulphonic acid
- IUPAC
- 2-amino-1,3-benzothiazole-6-sulfonic acid
- English name
- 2-aminobenzothiazole-6-sulphonic acid
- Molecular formula
- C7H6N2O3S2
- Molecular weight
- 230.26
Names & synonyms
6-Benzothiazolesulfonic acid, 2-amino-2-Aminobenzothiazole-6-sulphonic acidEINECS 244-676-7RefChem:465103244-676-721951-32-62-aminobenzo[d]thiazole-6-sulfonic acid2-amino-1,3-benzothiazole-6-sulfonic acid2-aminobenzothiazole-6-sulfonic acidSCHEMBL1498187DTXSID0066741CKAGMVXJHAZUBL-UHFFFAOYSA-N
Show more names
2-Amino-6-benzothiazolesulfonic acid
STL606108AKOS024389344ST105246NS00027001ST51043889EN300-239710F495376SR-01000078398
Database identifiers
- CAS
21951-32-6- PubChem CID
- 89112
- DTXSID
DTXSID0066741- EC Number
- 244-676-7
- Nikkaji
- J225.489A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- EPA Substance Registry System
- 6 · 6-Benzothiazolesulfonic acid, 2-amino- (21951-32-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information6-Benzothiazolesulfonic acid, 2-amino-: ACTIVE
Applications
Uses2-Aminobenzo[d]thiazole-6-sulfonic Acid is a reagent in the preparation of novel benzothiazole derivatives being investigated for antiviral activity against various influenza A2 strains in mice.
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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