chempirical

Methylisothiourea

C2H6N2SCAS 2986-19-890.14 g/mol

Open in Covalent MOL file
SNHNH2
Sulfide

Properties

Molecular formula
C2H6N2S
Molar mass
90.14 g/mol
Exact mass
90.0252 Da
Melting point
244 °C (decomposes)
logP
0.24Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
2986-19-8
SMILES
CSC(=N)N
InChIKey
SDDKIZNHOCEXTF-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)

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

Names and synonyms

15 names · show all
  • Carbamimidothioic acid, methyl ester
  • Pseudourea, 2-methyl-2-thio-
  • 2-Methyl-2-thiopseudourea
  • S-Methylisothiourea
  • S-Methylthiopseudourea
  • 2-Methylpseudothiourea
  • 2-Methylisothiourea
  • Methylisothiuronium
  • Methylthiopseudourea
  • S-Methylthiourea
  • S-Methylpseudothiourea
  • 2-Methyl-2-pseudothiourea
  • 2-Methylthiourea
  • Methyl carbamimidothioate
  • (Methylsulfanyl)methanimidamide

Work with Methylisothiourea

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

1,1′-Dithiodiformamidine hydrochloride14807-75-143 % similar S-Ethylthiuronium bromide1071-37-040 % similar S-(2-Aminoethyl)isothiuronium bromide hydrobromide56-10-033 % similar

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

Same formula

Methylthiourea598-52-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook