2-Hydrazinyl-6-(trifluoromethoxy)-1,3-benzothiazole

HCID 10422158CAS 133840-98-9

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Basic information

Standard SMILES: NNc1nc2ccc(OC(F)(F)F)cc2s1
InChIKey: DYZRKRXUAGGAPE-UHFFFAOYSA-N
Molecular formula: C8H6F3N3OS
Average molar mass: 249.22 g/mol
Monoisotopic mass: 249.01836747

Names & identifiers

Preferred name: 2-Hydrazinyl-6-(trifluoromethoxy)-1,3-benzothiazole
IUPAC: [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine
English name: 6-(Trifluoromethoxy)-2(3H)-benzothiazolone hydrazone
Molecular formula: C8H6F3N3OS
Molecular weight: 249.21

Names & synonyms

133840-98-92-hydrazinyl-6-(trifluoromethoxy)-1,3-benzothiazoleDTXSID90439668RefChem:261513DTXCID203904902-Hydrazono-6-(trifluoromethoxy)-2,3-dihydrobenzo[d]thiazole2-hydrazino-6-(trifluoromethoxy)-1,3-benzothiazole[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine(6-Trifluoromethoxy-benzothiazol-2-yl)-hydrazine2-hydrazino-6-trifluoromethoxybenzothiazoleC8H6F3N3OSSCHEMBL2116986

Show more names

6-(TRIFLUOROMETHOXY)-2(3H)BENZOTHIAZO…Benzothiazole, 2-hydrazinyl-6-(trifluoromethoxy)-2-hydrazineyl-6-(trifluoromethoxy)benzo[d]thiazole6-(Trifluoromethoxy)-2(3H)-benzothiazolone hydrazone

AKOS015957326AKOS0160061392-hydrazino-6-trifluoromethoxy-benzothiazoleEN300-237242F2158-08036-(trifluoromethoxy)-3H-1,3-benzothiazol-2-one hydrazone

Database identifiers

CAS: 133840-98-9
PubChem CID: 10422158
DTXSID: DTXSID90439668

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 88.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 253

Physicochemical properties

storage temp.: 2 · 2-8°C
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 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