3-Amino-5-methylthio-1H-1,2,4-triazole - CAS 45534-08-5

Catalog:	BB025922
Product Name:	3-Amino-5-methylthio-1H-1,2,4-triazole
CAS:	45534-08-5
Synonyms:	3-methylsulfanyl-1H-1,2,4-triazol-5-amine

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Computed Properties

IUPAC Name:	3-methylsulfanyl-1H-1,2,4-triazol-5-amine
Description:	3-Amino-5-methylthio-1H-1,2,4-triazole (CAS# 45534-08-5) is a useful research chemical.
Molecular Weight:	130.17
Molecular Formula:	C3H6N4S
Canonical SMILES:	CSC1=NNC(=N1)N
InChI:	InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
InChI Key:	XGWWZKBCQLBJNH-UHFFFAOYSA-N
Density:	1.46 g/cm³
MDL:	MFCD00005232
LogP:	0.69000

Publication Number	Title	Priority Date
RU-2741502-C1	Method for producing 2-methylthio-6-nitro-1,2-4-triazolo[5,1-c]-1,2,4-triazin-7-one sodium salt dihydrate posessing antiviral activity	20200904
US-2021324525-A1	Method and composition for etching molybdenum	20200414
WO-2021211708-A1	Method and composition for etching molybdenum	20200414
WO-2021131691-A1	Coating material composition, coated metal material, and method for coating metal material	20191226
CN-110950813-A	Purification method of 3-mercapto-1, 2, 4-triazole	20191127

PMID	Publication Date	Title	Journal
21578280	20091010	Ethyl 7-chloro-methyl-5-(2-chloro-phen-yl)-7-hydr-oxy-2-methyl-sulfanyl-4,5,6,7-tetra-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate	Acta crystallographica. Section E, Structure reports online
21200920	20071206	Ethyl 5-chloro-methyl-2-methyl-sulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.03131738
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.03131738
Rotatable Bond Count:	1
Topological Polar Surface Area:	92.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5