chempirical

1-Allyl-3-(2-hydroxyethyl)-2-thiourea

C6H12N2OSCAS 105-81-7160.23 g/mol

Open in Covalent MOL file
NSHNHOH
AlcoholAlkeneThiol

Properties

Molecular formula
C6H12N2OS
Molar mass
160.23 g/mol
Exact mass
160.0670 Da
logP
0.04Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
4

Identifiers

CAS number
105-81-7
SMILES
C=CCN=C(S)NCCO
InChIKey
VUVPNTYTOUGMDG-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2OS/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)

Weigh it out

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

Names and synonyms

12 names
  • Thiourea, N-(2-hydroxyethyl)-N′-2-propen-1-yl-
  • Urea, 1-allyl-3-(2-hydroxyethyl)-2-thio-
  • Thiourea, N-(2-hydroxyethyl)-N′-2-propenyl-
  • N-(2-Hydroxyethyl)-N′-2-propen-1-ylthiourea
  • N-Allyl-N′-(β-hydroxyethyl)thiourea
  • 3-(2-Hydroxyethyl)-1-allyl-2-thiourea
  • NSC 70444
  • 1-Allyl-3-(2-hydroxyethyl)thiourea
  • N-(2-Hydroxyethyl)-N′-2-propenylthiourea
  • N-Allyl-N′-(2-hydroxyethyl)thiourea
  • 1-(2-Hydroxyethyl)-3-prop-2-enylthiourea
  • 1-(2-Hydroxyethyl)-3-(prop-2-en-1-yl)thiourea

Work with 1-Allyl-3-(2-hydroxyethyl)-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

4-Allylthiosemicarbazide3766-55-053 % similar Ethylene thiourea96-45-741 % similar N,N′-Di-2-propen-1-ylurea1801-72-541 % similar Tetrahydropyrimidine-2-thione2055-46-138 % similar (2-Hydroxyethyl)urea2078-71-935 % similar N,N'-Di-N-butylthiourea109-46-633 % similar N1,N2-Bis(2-hydroxyethyl)ethanediamide1871-89-232 % similar 3-Buten-1-ol627-27-031 % similar

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

Elsewhere

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