chempirical

Allylthiourea

C4H8N2SCAS 109-57-9116.18 g/mol

Open in Covalent MOL file
NHNHSH
AlkeneThiol

Properties

Molecular formula
C4H8N2S
Molar mass
116.18 g/mol
Exact mass
116.0408 Da
Melting point
78 °C
logP
0.63Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Identifiers

CAS number
109-57-9
SMILES
C=CCNC(=N)S
InChIKey
HTKFORQRBXIQHD-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)

Weigh it out

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

Names and synonyms

17 names · show all
  • Thiourea, N-2-propen-1-yl-
  • Urea, 1-allyl-2-thio-
  • Thiourea, 2-propenyl-
  • N-2-Propen-1-ylthiourea
  • Aminosin
  • Rhodalline
  • Thiosinamine
  • 1-Allyl-2-thiourea
  • U 19571
  • N-Allylthiourea
  • Allylthiocarbamide
  • 1-Allylthiourea
  • Thiosinamin
  • Rhodallin
  • 2-Propenylthiourea
  • NSC 1915
  • (Prop-2-en-1-yl)thiourea

Work with Allylthiourea

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

Allylurea557-11-954 % similar Ethylthiourea625-53-644 % similar N-Propylthiourea927-67-341 % similar N-Butylthiourea1516-32-139 % similar Dithiourea142-46-138 % similar Dithiobiuret541-53-738 % similar N,N′-Di-2-propen-1-ylurea1801-72-536 % similar N-(Phenylmethyl)thiourea621-83-036 % similar

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

Same formula

Methylethylenethiourea13431-10-2 Tetrahydropyrimidine-2-thione2055-46-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook