Terbutryn

C₁₀H₁₉N₅SCAS 886-50-0241.36 g/mol

Open in Covalent MOL file

Secondary amine Sulfide

Properties

Molecular formula: C₁₀H₁₉N₅S
Molar mass: 241.36 g/mol
Exact mass: 241.1361 Da
Density: 1.115 g/mL (at 20 °C)
Melting point: 104 °C
Boiling point: 154–160 °C (at 0.06 Torr)
pKa: 4.3 (weak base)
Water solubility: 25 mg/L (20 °C)
logP: 1.66Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed52.2% of notifiers
H317 May cause an allergic skin reaction59.5% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H332 Harmful if inhaled10.8% of notifiers
H400 Very toxic to aquatic life95.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects86.6% of notifiers

Aggregated from 343 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

886-50-0

SMILES

CCN=c1nc(NC(C)(C)C)[nH]c(SC)n1

InChIKey

IROINLKCQGIITA-UHFFFAOYSA-N

InChI

InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

Weigh it out

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

Names and synonyms

22 names · show all

1,3,5-Triazine-2,4-diamine, N2-(1,1-dimethylethyl)-N4-ethyl-6-(methylthio)-
s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-
1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-N′-ethyl-6-(methylthio)-
N2-(1,1-Dimethylethyl)-N4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
GS 14260
2-tert-Butylamino-4-ethylamino-6-methylthio-s-triazine
4-Ethylamino-2-methylthio-6-tert-butylamino-1,3,5-triazine
6-tert-Butylamino-4-ethylamino-2-methylthio-1,3,5-triazine
Igran 500
Igran 50
2-Methylthio-4-ethylamino-6-tert-butylamino-s-triazine
Terbutryne
A 1866
2-Ethylamino-4-methylthio-6-tert-butylamino-1,3,5-triazine
Igran
2-Methylmercapto-4-ethylamino-6-tert-butylamino-1,3,5-triazine
Clarosan
Terbutrex
Saterb
tert-Butryn
2-Methylthio-4-tert-butylamino-6-ethylamino-s-triazine
Prebane

Work with Terbutryn

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

Irgarol28159-98-066 % similar Terbuthylazine5915-41-349 % similar Simetryn1014-70-644 % similar Ametryn834-12-839 % similar Cyanazine21725-46-233 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Prometryn7287-19-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook