2-Amino-4-(2,4-difluorophenyl)thiazole - CAS 105512-80-9

Name: 2-Amino-4-(2,4-difluorophenyl)thiazole
Brand: BOC Sciences
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Catalog:	BB001657
Product Name:	2-Amino-4-(2,4-difluorophenyl)thiazole
CAS:	105512-80-9
Synonyms:	4-(2,4-difluorophenyl)-1,3-thiazol-2-amine

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Computed Properties

IUPAC Name:	4-(2,4-difluorophenyl)-1,3-thiazol-2-amine
Description:	2-Amino-4-(2,4-difluorophenyl)thiazole (CAS# 105512-80-9) is a useful research chemical.
Molecular Weight:	212.22
Molecular Formula:	C9H6F2N2S
Canonical SMILES:	C1=CC(=C(C=C1F)F)C2=CSC(=N2)N
InChI:	InChI=1S/C9H6F2N2S/c10-5-1-2-6(7(11)3-5)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChI Key:	HKUPOLYVZQLXKP-UHFFFAOYSA-N
Boiling Point:	341.1 °C at 760 mmHg
Purity:	95 %
Density:	1.432 g/cm³
Appearance:	Solid
MDL:	MFCD00472891
LogP:	3.25170

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GHS Hazard Statement:	H302 (95.45%): 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-2011114184-A1	Amides of heterocyclic compounds as trpa1 inhibitors	20100315
US-2013053341-A1	Therapeutic compounds and related methods of use	20091231
US-2015307477-A1	Therapeutic compounds and related methods of use	20091231
US-2017217923-A1	Therapeutic compounds and related methods of use	20091231
US-9073890-B2	Therapeutic compounds and related methods of use	20091231

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.02197570
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.02197570
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5