2-Bromo-4-phenylthiazole - CAS 57516-16-2

Catalog:	BB029730
Product Name:	2-Bromo-4-phenylthiazole
CAS:	57516-16-2
Synonyms:	2-bromo-4-phenyl-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-phenyl-1,3-thiazole
Description:	2-Bromo-4-phenylthiazole (CAS# 57516-16-2) is a useful research chemical.
Molecular Weight:	240.12
Molecular Formula:	C9H6BrNS
Canonical SMILES:	C1=CC=C(C=C1)C2=CSC(=N2)Br
InChI:	InChI=1S/C9H6BrNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChI Key:	WUZLTINVLOBXQS-UHFFFAOYSA-N
Boiling Point:	330.536 °C at 760 mmHg
Purity:	98 %
Density:	1.563 g/cm³
MDL:	MFCD09746507
LogP:	3.57260

Publication Number	Title	Priority Date
WO-2021188938-A1	Phd inhibitor compounds, compositions, and use	20200320
US-2020308163-A1	Compounds and compositions as modulators of tlr signaling	20190326
WO-2020198368-A1	Compounds and compositions as modulators of tlr signaling	20190326
CN-109593088-A	Azabicyclic derivatives and its preparation and application	20181227
WO-2020023356-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723

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GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (90.48%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.94043
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.94043
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6