2-Amino-4,6-difluorobenzothiazole - CAS 119256-40-5

Catalog:	BB004444
Product Name:	2-Amino-4,6-difluorobenzothiazole
CAS:	119256-40-5
Synonyms:	4,6-difluoro-1,3-benzothiazol-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-difluoro-1,3-benzothiazol-2-amine
Description:	2-Amino-4,6-difluorobenzothiazole (CAS# 119256-40-5) is a useful research chemical.
Molecular Weight:	186.18
Molecular Formula:	C7H4F2N2S
Canonical SMILES:	C1=C(C=C2C(=C1F)N=C(S2)N)F
InChI:	InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChI Key:	DDKKXSCVPKDRRS-UHFFFAOYSA-N
Boiling Point:	306.8 °C at 760 mmHg
Melting Point:	216-220 °C
Purity:	95 %
Density:	1.591 g/cm³
Appearance:	White to tan crystalline powder or chunks
MDL:	MFCD00276099
LogP:	2.73790

Publication Number	Title	Priority Date
CN-112423746-A	Novel anti-mycobacterial heterocyclic amides	20180228
US-2021002239-A1	Novel Antimycobacterial Heterocyclic Amides	20180228
CN-109689647-A	The compound that bicyclic heteroaryl replaces	20160714
EP-3484878-A1	Bicyclic heteroaryl substituted compounds	20160714
US-2019292176-A1	Bicyclic heteroaryl substituted compounds	20160714

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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

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.00632563
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.00632563
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2