5-Amino-2,3-dihydro-1,3-benzothiazol-2-one
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Basic information
- CAS
404901-68-4- Standard SMILES
Nc1ccc2sc(=O)[nH]c2c1- InChIKey
RNIIVXCSQPGXAF-UHFFFAOYSA-N- Molecular formula
- C7H6N2OS
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.02008399
Names & identifiers
- Preferred name
- 5-Amino-2,3-dihydro-1,3-benzothiazol-2-one
- IUPAC
- 5-amino-3H-1,3-benzothiazol-2-one
- English name
- 2(3H)-Benzothiazolone,5-amino-(9CI)
- Molecular formula
- C7H6N2OS
- Molecular weight
- 166.2
Names & synonyms
404901-68-45-amino-2,3-dihydro-1,3-benzothiazol-2-oneRefChem:532073848-457-25-aminobenzo[d]thiazol-2(3H)-one2(3H)-Benzothiazolone, 5-amino-2(3H)-Benzothiazolone,5-amino-(9CI)5-AMINO-1,3-BENZOTHIAZOL-2-OL5-AMINO-3H-1,3-BENZOTHIAZOL-2-ONESCHEMBL9286435ERA90168DA-06098
Show more names
EN300-1295495
Database identifiers
- CAS
404901-68-4- PubChem CID
- 45077046
- EC Number
- 848-457-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- 10.74 · 10.74±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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