2-Bromo-5-phenyl-1,3-thiazole - CAS 133311-51-0

Catalog:	BB007728
Product Name:	2-Bromo-5-phenyl-1,3-thiazole
CAS:	133311-51-0
Synonyms:	2-bromo-5-phenylthiazole; 2-bromo-5-phenyl-1,3-thiazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-bromo-5-phenyl-1,3-thiazole
Description:	2-Bromo-5-phenyl-1,3-thiazole (CAS# 133311-51-0) is a useful research chemical.
Molecular Weight:	240.12
Molecular Formula:	C9H6BrNS
Canonical SMILES:	C1=CC=C(C=C1)C2=CN=C(S2)Br
InChI:	InChI=1S/C9H6BrNS/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
InChI Key:	DQKKZVBNEAECJZ-UHFFFAOYSA-N
Boiling Point:	330.536 °C at 760 mmHg
Density:	1.563 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	3.57260

Publication Number	Title	Priority Date
WO-2021188938-A1	Phd inhibitor compounds, compositions, and use	20200320
CN-109790169-A	With the Cyanopyrolidine derivatives as USP30 inhibitor activity	20160930
EP-3519412-A1	Cyanopyrrolidine derivatives with activity as inhibitors of usp30	20160930
JP-2019532950-A	Cyanopyrrolidine derivatives having activity as inhibitors of USP30	20160930
US-2020199126-A1	Cyanopyrrolidine derivatives with activity as inhibitors of usp30	20160930

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Related Functional Groups

Oxazole/Thiazole

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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:	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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6