chempirical

Octylthiourea

C9H20N2SCAS 13281-03-3188.33 g/mol

Open in Covalent MOL file
NHSNH2

Properties

Molecular formula
C9H20N2S
Molar mass
188.33 g/mol
Exact mass
188.1347 Da
logP
2.18Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
7

Identifiers

CAS number
13281-03-3
SMILES
CCCCCCCCNC(=S)N
InChIKey
QAKUNEDFMJPMGO-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2S/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)

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

Names and synonyms

1 names
  • 1-Octyl-2-thiourea

Work with Octylthiourea

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

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 Diheptylamine2470-68-044 % similar

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

Same formula

N,N'-Di-N-butylthiourea109-46-6 N,N′-Bis(1,1-dimethylethyl)thiourea4041-95-6

Elsewhere

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