6-Bromo-4-fluoro-1,3-benzothiazol-2-amine - CAS 383131-45-1

Name: 6-Bromo-4-fluoro-1,3-benzothiazol-2-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023627
Product Name:	6-Bromo-4-fluoro-1,3-benzothiazol-2-amine
CAS:	383131-45-1
Synonyms:	6-bromo-4-fluoro-1,3-benzothiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-4-fluoro-1,3-benzothiazol-2-amine
Description:	6-Bromo-4-fluoro-1,3-benzothiazol-2-amine (CAS# 383131-45-1) is a useful research chemical.
Molecular Weight:	247.09
Molecular Formula:	C7H4BrFN2S
Canonical SMILES:	C1=C(C=C(C2=C1SC(=N2)N)F)Br
InChI:	InChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChI Key:	UTJKGZXNIBEVEF-UHFFFAOYSA-N
Boiling Point:	364.7 °C at 760 mmHg
Density:	1.916 g/cm³
LogP:	3.36130

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Related Functional Groups

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[35989-28-7]C7H3Cl2FO2
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[151585-93-2]C7H6FNO
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[1795420-51-7]C6H6F3N3O2
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[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
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[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[113583-35-0]C7H10N2O4S
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021161216-A1	Farnesoid x receptor modulating compounds and methods of using the same	20200211
CA-3106033-A1	Compounds useful in modulating the farnesoid x receptor and methods of making and using the same	20180808
KR-20210042112-A	Compounds useful for modulating farnesoid X receptors and methods of making and using the same	20180808
US-2021309656-A1	Compounds useful in modulating the farnesoid x receptor and methods of making and using the same	20180808
WO-2019169158-A1	Novel antimycobacterial heterocyclic amides	20180228

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.92626
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	245.92626
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8