chempirical

L-Methioninol

C5H13NOSCAS 2899-37-8135.23 g/mol

Open in Covalent MOL file
SNH2OH
AlcoholPrimary amineSulfide

Properties

Molecular formula
C5H13NOS
Molar mass
135.23 g/mol
Exact mass
135.0718 Da
Melting point
33–34 °C
Boiling point
120 °C (at 3 Torr)
logP
0.06Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2899-37-8
SMILES
CSCC[C@H](N)CO
InChIKey
MIQJGZAEWQQAPN-YFKPBYRVSA-N
InChI
InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 1-Butanol, 2-amino-4-(methylthio)-, (2S)-
  • 1-Butanol, 2-amino-4-(methylthio)-, L-
  • 1-Butanol, 2-amino-4-(methylthio)-, (S)-
  • (2S)-2-Amino-4-(methylthio)-1-butanol
  • (S)-2-Amino-4-methylthio-1-butanol
  • ((S)-1-(Hydroxymethyl)-3-(methylthio)propyl)amine
  • (2S)-2-Amino-4-methylthio-1-butanol
  • (2S)-2-Amino-4-(methylsulfanyl)butan-1-ol

Work with L-Methioninol

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

Serinol534-03-248 % similar 2-Amino-1-butanol13054-87-044 % similar (R)-2-Amino-1-butanol5856-63-344 % similar 2-Amino-1-butanol96-20-844 % similar L-Leucinol7533-40-641 % similar D-Methionine348-67-441 % similar Methionine63-68-341 % similar Methionol505-10-236 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook