4-Bromothiazole - CAS 34259-99-9

Catalog:	BB022031
Product Name:	4-Bromothiazole
CAS:	34259-99-9
Synonyms:	4-bromo-1,3-thiazole

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Computed Properties

IUPAC Name:	4-bromo-1,3-thiazole
Description:	4-Bromothiazole (CAS# 34259-99-9) is a useful research chemical.
Molecular Weight:	164.02
Molecular Formula:	C3H2BrNS
Canonical SMILES:	C1=C(N=CS1)Br
InChI:	InChI=1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H
InChI Key:	VDTIGYKLTROQAH-UHFFFAOYSA-N
Boiling Point:	197.4 °C at 760 mmHg
Purity:	97+ %
Density:	1.857 g/cm³
MDL:	MFCD06657592
LogP:	1.90560

Publication Number	Title	Priority Date
CN-113200939-A	Bis (1, 3-thiazole) amine and preparation method thereof	20210331
CN-113200977-A	N- (4-thiazolyl) -3-pyrazolamine and preparation method thereof	20210331
CN-113045993-A	Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof	20210325
WO-2021163727-A1	Pikfyve kinase inhibitors	20200211
KR-20210099840-A	A novel compound, a method for preparing the same, and a negative active material for a redox flow battery including the new compound, and a redox flow battery comprising the same	20200205

PMID	Publication Date	Title	Journal
20960446	20101217	Total syntheses of the thiopeptides amythiamicin C and D	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	50.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.90913
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.90913
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2