7-Bromobenzoxazole-2(3H)-thione - CAS 1013643-09-8

Catalog:	BB000491
Product Name:	7-Bromobenzoxazole-2(3H)-thione
CAS:	1013643-09-8
Synonyms:	7-bromo-3H-1,3-benzoxazole-2-thione; 7-bromo-3H-1,3-benzoxazole-2-thione

Technical Data

Patents

Computed Properties

IUPAC Name:	7-bromo-3H-1,3-benzoxazole-2-thione
Description:	7-Bromobenzoxazole-2(3H)-thione (CAS# 1013643-09-8 ) is a useful research chemical.
Molecular Weight:	230.08
Molecular Formula:	C7H4BrNOS
Canonical SMILES:	C1=CC2=C(C(=C1)Br)OC(=S)N2
InChI:	InChI=1S/C7H4BrNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11)
InChI Key:	HQWNPEUAILIPCL-UHFFFAOYSA-N
LogP:	2.87900

Publication Number	Title	Priority Date
AU-2017385199-A1	Novel compound and pharmaceutically-acceptable salt thereof	20161226
AU-2017385199-B2	Novel compound and pharmaceutically-acceptable salt thereof	20161226
AU-2010249380-A1	N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as Janus kinase inhibitors	20090522
AU-2010249380-B2	N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as Janus kinase inhibitors	20090522
CA-2762174-A1	N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors	20090522

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.9197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.9197
Rotatable Bond Count:	0
Topological Polar Surface Area:	53.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4