chempirical

D-Methioninol

C5H13NOSCAS 87206-44-8135.22 g/mol

Open in Covalent MOL file
SOHNH2
AlcoholPrimary amineSulfide

Properties

Molecular formula
C5H13NOS
Molar mass
135.22 g/mol
Exact mass
135.0718 Da
logP
0.06Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
87206-44-8
SMILES
CSCC[C@H](CO)N
InChIKey
MIQJGZAEWQQAPN-RXMQYKEDSA-N
InChI
InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (2R)-2-Amino-4-(methylsulfanyl)butan-1-ol

Work with D-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Methioninol2899-37-8Enantiomer Dl-methioninol16720-80-2Stereo not defined Dl-methioninol502-83-0Stereo not defined

Similar compounds

2-Amino-1,3-propanediol hydrochloride73708-65-348 % similar Serinol534-03-248 % similar 2-Amino-1-butanol13054-87-044 % similar (+)-2-Amino-1-butanol5856-62-244 % similar (R)-2-Amino-1-butanol5856-63-344 % similar 2-Amino-1-butanol96-20-844 % similar D-Leucinol53448-09-241 % similar L-Leucinol7533-40-641 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook