Prothionamide

C₉H₁₂N₂SCAS 14222-60-7180.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂N₂S
Molar mass: 180.27 g/mol
Exact mass: 180.0721 Da
Melting point: 136.7 °C
logP: 2.29Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

14222-60-7

SMILES

CCCc1cc(C(=N)S)ccn1

InChIKey

VRDIULHPQTYCLN-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)

Weigh it out

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

Names and synonyms

21 names · show all

4-Pyridinecarbothioamide, 2-propyl-
Isonicotinamide, 2-propylthio-
2-Propyl-4-pyridinecarbothioamide
2-Propylthioisonicotinamide
Trevintix
Ektebin
Protionamid
2-Propylisonicotinylthioamide
9778 R. P.
Tebeform
1321TH
Tuberex
Protion
Protionamide
Protionizina
TH 1321
RP 9778
2-Propylpyridine-4-thiocarboxamide
Peteha
Tuberamin
2-Propylpyridine-4-carboimidothioic acid

Work with Prothionamide

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

Ethionamide536-33-471 % similar 2-Propylpyridine622-39-943 % similar 3-Methylbenzenecarbothioamide2362-63-240 % similar Propylpyrazine18138-03-939 % similar Thionicotinamide4621-66-338 % similar 2-Pentylpyridine2294-76-037 % similar Thiobenzamide2227-79-436 % similar 2-Hexylpyridine1129-69-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(2,4-Dimethylphenyl)thiourea16738-20-8 1-Benzyl-3-methyl-2-thiourea2740-94-5 N-(2,6-Dimethylphenyl)thiourea6396-76-5 2-Phenylethylthiourea6815-00-5 3,5-Dimethylphenylthiourea97480-60-9

Elsewhere

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