CAS 153025-29-7 6-Chloro-2-(piperazin-1-yl)-1,3-benzothiazole (HCID 2746595)

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Basic information

CAS: 153025-29-7
Standard SMILES: Clc1ccc2nc(N3CCNCC3)sc2c1
InChIKey: HKQTVOYPBKNRJL-UHFFFAOYSA-N
Molecular formula: C11H12ClN3S
Average molar mass: 253.75 g/mol
Monoisotopic mass: 253.04404606

Names & identifiers

Preferred name: 6-Chloro-2-(piperazin-1-yl)-1,3-benzothiazole
IUPAC: 6-chloro-2-piperazin-1-yl-1,3-benzothiazole
English name: 6-Chloro-2-piperazino-1,3-benzothiazole
Molecular formula: C11H12ClN3S
Molecular weight: 253.75

Names & synonyms

153025-29-76-chloro-2-(piperazin-1-yl)-1,3-benzothiazoleDTXSID40372617RefChem:307818DTXCID40323649962-866-46-CHLORO-2-PIPERAZINO-1,3-BENZOTHIAZOLE6-chloro-2-piperazin-1-yl-1,3-benzothiazoleMFCD01571353F2146-00786-chloro-2-(piperazin-1-yl)benzo[d]thiazoleMaybridge1_008776

Show more names

6-Chloro-2-(1-piperazinyl)benzothiazoleBenzothiazole, 6-chloro-2-(1-piperazinyl)-1-(6-Chloro-1,3-benzothiazol-2-yl)piperazine6-Chloro-2-(piperazin-1-yl)-1,3-benzothiazole 95%+

6-chloro-2-piperazin-1-yl-benzothiazole1-(6-CHLOROBENZOTHIAZOL-2-YL)PIPERAZINEOprea1_524281SCHEMBL2709859SCHEMBL8916226HMS566G20HKQTVOYPBKNRJL-UHFFFAOYSA-NSMSSF-0017255

Database identifiers

CAS: 153025-29-7
PubChem CID: 2746595
DTXSID: DTXSID40372617
EC Number: 962-866-4
Nikkaji: J2.926.123G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 56.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 247

Physicochemical properties

Boiling point: 402.1 · 402.1±55.0 °C(Predicted)
Density: 1.36 · 1.360±0.06 g/cm3(Predicted)
pka: 8.26 · 8.26±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280-P271
Hazard Note: Irritant
HS Code: 2934208090 · 2934208090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.