7-Fluorobenzoxazole-2(3H)-thione - CAS 153403-54-4

Catalog:	BB010893
Product Name:	7-Fluorobenzoxazole-2(3H)-thione
CAS:	153403-54-4
Synonyms:	7-fluoro-3H-1,3-benzoxazole-2-thione; 7-fluoro-3H-1,3-benzoxazole-2-thione

Technical Data

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Computed Properties

IUPAC Name:	7-fluoro-3H-1,3-benzoxazole-2-thione
Description:	7-Fluorobenzoxazole-2(3H)-thione (CAS# 153403-54-4 ) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C7H4FNOS
Canonical SMILES:	C1=CC2=C(C(=C1)F)OC(=S)N2
InChI:	InChI=1S/C7H4FNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11)
InChI Key:	KQULXBZFTSJHJQ-UHFFFAOYSA-N
LogP:	2.25560

Publication Number	Title	Priority Date
CN-105431427-A	Novel PDE4 inhibitor	20130710
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
CA-2762174-C	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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Related Functional Groups

Benzoxazole/Benzothiazole

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[1215553-99-3]
4-(1,3-Benzothiazol-2-yl)-2-methylaniline hydrochloride
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one
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Benzo[d]oxazole-7-carbaldehyde
[208772-24-1]
Benzo[d]oxazole-7-carboxylic acid

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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:	168.99976309
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.99976309
Rotatable Bond Count:	0
Topological Polar Surface Area:	53.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8