1-Hexyl-2-thiourea

C₇H₁₆N₂SCAS 21071-27-2160.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₆N₂S
Molar mass: 160.28 g/mol
Exact mass: 160.1034 Da
logP: 1.40Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

21071-27-2

SMILES

CCCCCCNC(=S)N

InChIKey

LMYQWQCDUHNQLF-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2S/c1-2-3-4-5-6-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)

Weigh it out

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

Names and synonyms

1 names

N-Hexylthiourea

Work with 1-Hexyl-2-thiourea

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

Octylthiourea13281-03-3100 % similar N1,N2-Didodecylethanedithioamide120-88-761 % similar Dodecylguanidine hydrochloride13590-97-152 % similar N-Octadecylurea2158-08-950 % similar Dioctylamine1120-48-544 % similar Didecylamine1120-49-644 % similar Dihexylamine143-16-844 % similar Ditetradecylamine17361-44-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dipropyl-2-thiourea26536-60-7 N,N′-Bis(1-methylethyl)thiourea2986-17-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook