chempirical

N,N′-Dimethylthiourea

C3H8N2SCAS 534-13-4104.17 g/mol

Open in Covalent MOL file
NSHNH
Thiol

Properties

Molecular formula
C3H8N2S
Molar mass
104.17 g/mol
Exact mass
104.0408 Da
Melting point
62 °C
Boiling point
155 °C (at 0.9 Torr)
logP
0.12Crippen estimate
Polar surface area
24.4 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
534-13-4
SMILES
CN=C(S)NC
InChIKey
VLCDUOXHFNUCKK-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

Weigh it out

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

Names and synonyms

8 names
  • Thiourea, N,N′-dimethyl-
  • Urea, 1,3-dimethyl-2-thio-
  • Dimethylthiocarbamide
  • Sym-Dimethylthiourea
  • 1,3-Dimethylthiourea
  • 1,3-Dimethyl-2-thiourea
  • 1,3-Dimethylisothiourea
  • NSC 8727

Work with N,N′-Dimethylthiourea

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-Methyl-3-thiosemicarbazide6610-29-352 % similar Dimethylurea96-31-142 % similar N-Methyl-N′-phenylthiourea2724-69-841 % similar 1-Benzyl-3-methyl-2-thiourea2740-94-538 % similar Methylthiourea598-52-733 % similar Trimethylthiourea2489-77-231 % similar

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

Same formula

Ethylthiourea625-53-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook