4-Methyl-4H-1,2,4-triazole-3-thiol - CAS 24854-43-1

Catalog:	BB018641
Product Name:	4-Methyl-4H-1,2,4-triazole-3-thiol
CAS:	24854-43-1
Synonyms:	4-methyl-1H-1,2,4-triazole-5-thione

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Computed Properties

IUPAC Name:	4-methyl-1H-1,2,4-triazole-5-thione
Description:	4-Methyl-4H-1,2,4-triazole-3-thiol (CAS# 24854-43-1) is a useful research chemical.
Molecular Weight:	115.16
Molecular Formula:	C3H5N3S
Canonical SMILES:	CN1C=NNC1=S
InChI:	InChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)
InChI Key:	AGWWTUWTOBEQFE-UHFFFAOYSA-N
Boiling Point:	135.3 °C at 760 mmHg
Melting Point:	165-169 °C
Purity:	95 %
Density:	1.44 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD00010069
LogP:	0.10380

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
20353251	20100422	Raman characterization of monolayers formed from mixtures of sodium 2-mercaptoethanesulfonate and various aromatic mercapto-derivative bases	The journal of physical chemistry. B
18781710	20081002	Influence of the solvent description on the predicted mechanism of SN2 reactions	The journal of physical chemistry. B
18337107	20080415	Synthesis and antioxidant properties of novel N-methyl-1,3,4-thiadiazol-2-amine and 4-methyl-2H-1,2,4-triazole-3(4H)-thione derivatives of benzimidazole class	Bioorganic & medicinal chemistry
15081345	20040401	Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives	Farmaco (Societa chimica italiana : 1989)

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Related Functional Groups

Triazole/Tetrazole

[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[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
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.02041835
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.02041835
Rotatable Bond Count:	0
Topological Polar Surface Area:	59.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0