3-Piperazinyl-1,2-benzisothiazole monohydrochloride - CAS 87691-88-1
Catalog: |
BB050197 |
Product Name: |
3-Piperazinyl-1,2-benzisothiazole monohydrochloride |
CAS: |
87691-88-1 |
Synonyms: |
3-Piperazinobenzisothiazole hydrochloride; 3-(Piperazin-1-yl)benzo[d]isothiazole hydrochloride; 1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride |
Related CAS: | 87691-87-0 (free base) 144010-02-6 (hydrochloride (1:x))
|
IUPAC Name: | 3-piperazin-1-yl-1,2-benzothiazole;hydrochloride |
Description: | 3-Piperazinyl-1,2-benzisothiazole monohydrochloride (CAS# 87691-88-1) is a useful research chemical. |
Molecular Weight: | 255.77 |
Molecular Formula: | C11H14ClN3S |
Canonical SMILES: | C1CN(CCN1)C2=NSC3=CC=CC=C32.Cl |
InChI: | InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H |
InChI Key: | DOQLJTKEUIJSKK-UHFFFAOYSA-N |
Boiling Point: | 320.2 ℃ at 760 mmHg |
Purity: | 95 % |
MDL: | MFCD00674131 |
LogP: | 2.90170 |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P272, P273, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P321, P330, P333+P313, P337+P313, P363, P391, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113009042-A | Analysis and detection method of 3- (1-piperazinyl) -1, 2-benzisothiazole hydrochloride and related substances thereof | 20210316 |
CN-112778298-A | Impurities in ziprasidone hydrochloride and preparation method thereof | 20210204 |
CN-112961150-A | Impurities in ziprasidone hydrochloride and preparation method thereof | 20210204 |
CN-110734434-A | Method for preparing lurasidone and salt thereof | 20191119 |
JP-2018536652-A | Fused heterocyclic compound derivatives and applications thereof | 20151026 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.0596963 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.0596963 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Benzoxazole/Benzothiazole
Piperazines
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