1,2,4-Oxadiazole-3-carbothioamide - CAS 39512-80-6

Catalog:	BB024009
Product Name:	1,2,4-Oxadiazole-3-carbothioamide
CAS:	39512-80-6
Synonyms:	1,2,4-oxadiazole-3-carbothioamide

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2,4-oxadiazole-3-carbothioamide
Description:	1,2,4-Oxadiazole-3-carbothioamide (CAS# 39512-80-6) is a useful research chemical.
Molecular Weight:	129.14
Molecular Formula:	C3H3N3OS
Canonical SMILES:	C1=NC(=NO1)C(=S)N
InChI:	InChI=1S/C3H3N3OS/c4-2(8)3-5-1-7-6-3/h1H,(H2,4,8)
InChI Key:	XSQHJTHMNXYPPY-UHFFFAOYSA-N
Boiling Point:	265.8 °C at 760 mmHg
Density:	1.514 g/cm³
MDL:	MFCD00457756
LogP:	0.40410

Publication Number	Title	Priority Date
WO-2021064141-A1	Inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1b	20191002
AU-2015279272-A1	2-aryl-4-hydroxy-1,3-thiazole derivatives useful as TRPM8-inhibitors in treatment of neuralgia, pain, COPD and asthma	20140623
AU-2015279272-A2	2-aryl-4-hydroxy-1,3-thiazole derivatives useful as TRPM8-inhibitors in treatment of neuralgia, pain, COPD and asthma	20140623
AU-2015279272-B2	2-aryl-4-hydroxy-1,3-thiazole derivatives useful as TRPM8-inhibitors in treatment of neuralgia, pain, COPD and asthma	20140623
CN-106660975-B	2-aryl-4-hydroxy-1, 3-thiazole derivatives as TRPM 8-inhibitors for the treatment of neuralgia, pain, COPD and asthma	20140623

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.9996829
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.9996829
Rotatable Bond Count:	1
Topological Polar Surface Area:	97
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1