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5-Chloro-6-(2,2-difluoroethoxy)-1,3-benzothiazol-2-amine

5-Chloro-6-(2,2-difluoroethoxy)-1,3-benzothiazol-2-amine - CAS 1855906-91-0

Catalog:	BB050822
Product Name:	5-Chloro-6-(2,2-difluoroethoxy)-1,3-benzothiazol-2-amine
CAS:	1855906-91-0
Synonyms:	2-Benzothiazolamine, 5-chloro-6-(2,2-difluoroethoxy)-; 5-Chloro-6-(2,2-difluoro-ethoxy)-benzothiazol-2-ylamine

Technical Data

Computed Properties

IUPAC Name:	5-chloro-6-(2,2-difluoroethoxy)-1,3-benzothiazol-2-amine
Molecular Weight:	264.68
Molecular Formula:	C9H7ClF2N2OS
Canonical SMILES:	C1=C2C(=CC(=C1Cl)OCC(F)F)SC(=N2)N
InChI:	InChI=1S/C9H7ClF2N2OS/c10-4-1-5-7(16-9(13)14-5)2-6(4)15-3-8(11)12/h1-2,8H,3H2,(H2,13,14)
InChI Key:	CORVNPFBMUZPRN-UHFFFAOYSA-N
Boiling Point:	397.0±52.0°C (Predicted)
Purity:	≥95%
Density:	1.536±0.06 g/cm3 (Predicted)

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Related Functional Groups

Amines and Anilines

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2-(1-Benzyl-3-pyrazolyl)ethylamine
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[42150-24-3]
2-(4-Pyrazolyl)ethylamine
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Benzoxazole/Benzothiazole

[313402-37-8]
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[20712-11-2]
6-Nitrobenzo[c]isothiazole
[1225716-41-5]
1-(5-Benzoxazolyl)ethanone
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[50710-33-3]
5,7-Dichloro-2-(chloromethyl)benzoxazole
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.993568
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	263.993568
Rotatable Bond Count:	3
Topological Polar Surface Area:	76.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5