1H-1,2,4-Triazole-3-thiol - CAS 3179-31-5

Catalog:	BB021064
Product Name:	1H-1,2,4-Triazole-3-thiol
CAS:	3179-31-5
Synonyms:	1,2-dihydro-1,2,4-triazole-3-thione

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,2-dihydro-1,2,4-triazole-3-thione
Description:	1H-1,2,4-Triazole-3-thiol (CAS# 3179-31-5) is a useful research chemical.
Molecular Weight:	101.13
Molecular Formula:	C2H3N3S
Canonical SMILES:	C1=NC(=S)NN1
InChI:	InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
InChI Key:	AFBBKYQYNPNMAT-UHFFFAOYSA-N
Boiling Point:	162.8 °C at 760 mmHg
Density:	1.73 g/cm³
MDL:	MFCD00005229
LogP:	0.09340

Publication Number	Title	Priority Date
CN-113150884-A	Preparation method of fluorine-containing cleaning liquid composition	20210427
CN-113150885-A	Fluorine-containing cleaning liquid composition	20210427
CN-113161234-A	Application of fluorine-containing cleaning liquid composition	20210427
CN-113186043-A	Fluorine-containing cleaning liquid composition and application thereof	20210427
CN-113186044-A	Preparation method of fluorine-containing cleaning liquid composition	20210427

PMID	Publication Date	Title	Journal
29131470	20180101	Synthesis of some novel pyridine compounds containing bis-1,2,4-triazole/thiosemicarbazide moiety and investigation of their antioxidant properties, carbonic anhydrase, and acetylcholinesterase enzymes inhibition profiles	Journal of biochemical and molecular toxicology
22796180	20120815	N-heterocyclic dicarboxylic acids: broad-spectrum inhibitors of metallo-β-lactamases with co-antibacterial effect against antibiotic-resistant bacteria	Bioorganic & medicinal chemistry letters
22214458	20120101	Novel biotransformation process of podophyllotoxin to 4 β-sulfur-substituted podophyllum derivates with anti-tumor activity by Penicillium purpurogenum Y.J. Tang	Current medicinal chemistry
22384042	20120101	Identification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitors	PloS one
21910044	20110801	Synthesis, anti-inflammatory, analgesic, and antibacterial activities of some triazole, triazolothiadiazole, and triazolothiadiazine derivatives	Archives of pharmacal research

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate

GHS Hazard Statement:	H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	97
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.00476828
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	101.00476828
Rotatable Bond Count:	0
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2