Stf-62247

C₁₅H₁₃N₃SCAS 315702-99-9267.35 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₅H₁₃N₃S
Molar mass: 267.35 g/mol
Exact mass: 267.0830 Da
logP: 4.26Crippen estimate
Polar surface area: 37.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed95% of notifiers
H319 Causes serious eye irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

315702-99-9

SMILES

CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3

InChIKey

KATNUHQNJGNLPW-UHFFFAOYSA-N

InChI

InChI=1S/C15H13N3S/c1-11-3-2-4-13(9-11)17-15-18-14(10-19-15)12-5-7-16-8-6-12/h2-10H,1H3,(H,17,18)

Weigh it out

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Work with Stf-62247

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

m,m'-Ditolylamine626-13-146 % similar 3-Methyldiphenylamine1205-64-744 % similar 4-Pyridin-4-yl-thiazol-2-ylamine30235-28-040 % similar 4-(4-Pyridyl)-3H-thiazole-2-thione77168-63-940 % similar m-Tolylhydrazine hydrochloride637-04-738 % similar N,3-Dimethylaniline696-44-637 % similar 4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine2103-91-535 % similar N-Ethyl-m-toluidine102-27-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Cyclopropyl-1-naphthalenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione1533519-84-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook