Basic information
- CAS
40352-87-2- Standard SMILES
O=c1s[nH]c2ccccc12- InChIKey
DPBKQJOOSMJCFX-UHFFFAOYSA-N- Molecular formula
- C7H5NOS
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.00918496
Overview
1,3-Dihydrobenzo[c]isothiazol-3-one is a benzenoid aromatic compound.
Names & identifiers
- Preferred name
- 1,3-Dihydro-2,1-benzothiazol-3-one
- IUPAC
- 1H-2,1-benzothiazol-3-one
- English name
- 2,1-benzisothiazol-3(1H)-one
- Molecular formula
- C7H5NOS
- Molecular weight
- 151.19
Names & synonyms
1,3-dihydro-2,1-benzothiazol-3-oneRefChem:414438890-481-02,1-Benzisothiazol-3(1H)-one40352-87-21H-2,1-benzothiazol-3-one2,1-benzothiazol-3(1H)-oneBenzo[c]isothiazol-3(1H)-oneKUC103850N42963-35-9Benzo[c]isothiazol-3-olMaybridge1_001013
Show more names
SCHEMBL226562,1-benzisothiazoline-3-onehydrobenzo[c]isothiazol-3-onecid_734839orb3030186SCHEMBL3489985CHEMBL1718246SCHEMBL11877290
Database identifiers
- CAS
40352-87-2- PubChem CID
- 734839
- DTXSID
DTXSID70352720- ChEMBL
CHEMBL1718246- ChEBI
CHEBI:194750- EC Number
- 890-481-0
- Nikkaji
- J1.649.403H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 139 · 139-142 °C (decomp)
- Boiling point
- 302.1 · 302.1±25.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- -1.84 · -1.84±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-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
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Additional notes
DefinitionChEBI: 1,3-Dihydrobenzo[c]isothiazol-3-one is a benzenoid aromatic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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