Basic information
- CAS
131540-88-0- Standard SMILES
O=S1(=O)N=C(N2CCNCC2)c2ccccc21- InChIKey
JPBXIPJNXUMSSQ-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2S
- Average molar mass
- 251.31 g/mol
- Monoisotopic mass
- 251.07284766
Names & identifiers
- Preferred name
- 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione
- IUPAC
- 3-piperazin-1-yl-1,2-benzothiazole 1,1-dioxide
- English name
- 1,2-Benzisothiazole, 3-(1-piperazinyl)-, 1,1-dioxide
- Molecular formula
- C11H13N3O2S
- Molecular weight
- 251.30482
Names & synonyms
131540-88-01,2-Benzisothiazole, 3-(1-piperazinyl)-, 1,1-dioxide3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dioneZiprasidone (m1)Bitp-SO23-(piperazin-1-yl)-1lambda6,2-benzothiazole-1,1-dioneXE378JC4E6ID-15001DTXSID603512873-Piperazin-1-ylbenzo(d)isothiazole 1,1-dioxide3-Piperazin-1-ylbenzo[d]isothiazole 1,1-dioxideRefChem:495850
Show more names
3-(Piperazin-1-yl)-1λ6,2-benzothiazole-1,1-dione
DTXCID40302353986-129-13-piperazin-1-yl-1,2-benzothiazole 1,1-dioxideBITP-SULFONETimTec1_0043433-piperazin-1-yl-benzo[d]isothiazole 1,1-dioxideCHEMBL1156UNII-XE378JC4E6
Database identifiers
- CAS
131540-88-0- PubChem CID
- 695718
- DTXSID
DTXSID60351287- ChEMBL
CHEMBL1155、CHEMBL1156- UNII
- XE378JC4E6
- EC Number
- 986-129-1
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- FDA UNII
- 378 JC4E6 · XE378JC4E6
Safety & regulation
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%)
Chemistry & industry
Suppliers7 total
济南百隆化学有限公司[email protected] · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
15 records
Compound notes
Loading…