chempirical

Methylethylenethiourea

C4H8N2SCAS 13431-10-2116.18 g/mol

Open in Covalent MOL file
NHNS

Properties

Molecular formula
C4H8N2S
Molar mass
116.18 g/mol
Exact mass
116.0408 Da
logP
-0.19Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
13431-10-2
SMILES
CN1CCNC1=S
InChIKey
FDDDTDSPQXLQFY-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2S/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)

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Names and synonyms

1 names
  • 1-Methyl-2-imidazolidinethione

Work with Methylethylenethiourea

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

1,3-Dimethyl-2-imidazolidinethione13461-16-040 % similar Dazomet533-74-430 % similar

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

Same formula

Allylthiourea109-57-9 Tetrahydropyrimidine-2-thione2055-46-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook