3-Amino-1-methyl-5-methylthio-1,2,4-triazole

C₄H₈N₄SCAS 84827-78-1144.20 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₄H₈N₄S
Molar mass: 144.20 g/mol
Exact mass: 144.0470 Da
logP: 0.12Crippen estimate
Polar surface area: 56.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

84827-78-1

SMILES

CN1C(=NC(=N1)N)SC

InChIKey

GHBGCSIFUKEXTC-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N4S/c1-8-4(9-2)6-3(5)7-8/h1-2H3,(H2,5,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Amino-1-methyl-5-methylthio-1,2,4-triazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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