4-(4-Cyclopropyl-1-naphthalenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

C₁₅H₁₃N₃SCAS 1533519-84-4267.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃N₃S
Molar mass: 267.35 g/mol
Exact mass: 267.0830 Da
logP: 3.59Crippen estimate
Polar surface area: 30.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

1533519-84-4

SMILES

Sc1nncn1-c1ccc(C2CC2)c2ccccc12

InChIKey

UFYFJMMSOUURSF-UHFFFAOYSA-N

InChI

InChI=1S/C15H13N3S/c19-15-17-16-9-18(15)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-10H,5-6H2,(H,17,19)

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

Names and synonyms

2 names

3H-1,2,4-Triazole-3-thione, 4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-
4-(4-Cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol

Work with 4-(4-Cyclopropyl-1-naphthalenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

Similar compounds

1-Cyclopropylnaphthalene25033-19-639 % similar Lesinurad878672-00-537 % similar 4-Cyclopropylnaphthalen-1-amine hydrochloride1533519-92-437 % similar 1-Cyclopropyl-4-isothiocyanatonaphthalene878671-95-535 % similar 4-Methyl-4H-1,2,4-triazole-3-thiol24854-43-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Stf-62247315702-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook