5-Bromothiazole - CAS 3034-55-7

Catalog:	BB020565
Product Name:	5-Bromothiazole
CAS:	3034-55-7
Synonyms:	5-bromo-1,3-thiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-1,3-thiazole
Description:	5-Bromothiazole (CAS# 3034-55-7) is a useful research chemical.
Molecular Weight:	164.02
Molecular Formula:	C3H2BrNS
Canonical SMILES:	C1=C(SC=N1)Br
InChI:	InChI=1S/C3H2BrNS/c4-3-1-5-2-6-3/h1-2H
InChI Key:	DWUPYMSVAPQXMS-UHFFFAOYSA-N
Boiling Point:	197.4 °C at 760 mmHg
Purity:	98 %
Density:	1.835 g/cm³
Appearance:	Yellow to light red to brown liquid
MDL:	MFCD07787394
LogP:	1.90560

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021198191-A1	Quinazolinone derivatives and uses thereof for treating a cancer	20200330
CN-112608320-A	Piperidine compound and preparation method and medical application thereof	20200116
WO-2021143792-A1	Piperidine compound, preparation method therefor and medical use thereof	20200116

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, 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