3-(Methylthio)-1,2,4-triazole - CAS 7411-18-9

Catalog:	BB034986
Product Name:	3-(Methylthio)-1,2,4-triazole
CAS:	7411-18-9
Synonyms:	5-(methylthio)-1H-1,2,4-triazole; 5-methylsulfanyl-1H-1,2,4-triazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methylsulfanyl-1H-1,2,4-triazole
Description:	3-(Methylthio)-1,2,4-triazole (CAS# 7411-18-9 ) is a useful research chemical.
Molecular Weight:	115.16
Molecular Formula:	C3H5N3S
Canonical SMILES:	CSC1=NC=NN1
InChI:	InChI=1S/C3H5N3S/c1-7-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
InChI Key:	QBQOOUMQVKQIQH-UHFFFAOYSA-N
Boiling Point:	293.6 °C at 760 mmHg
Density:	1.35 g/cm³
MDL:	MFCD01312671
LogP:	0.52660

Publication Number	Title	Priority Date
WO-2021069567-A1	Novel heteroaryl-triazole compounds as pesticides	20191009
JP-2019020522-A	Photosensitive resin composition, cured film and electronic device	20170713
JP-2019006686-A	Pest control composition and use thereof	20170621
EP-3608327-A1	Triazole silane compound, method for synthesizing said compound and use thereof	20170407
JP-WO2018186476-A1	Triazole silane compound, method for synthesizing the compound and use thereof	20170407

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Related Functional Groups

Triazole/Tetrazole

[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[146-68-9]
Iodonitrotetrazolium chloride
[4923-01-7]
3-Amino-5-methyl-4H-1,2,4-triazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	58.1
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:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.02041835
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8