(1S,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol

C10H15NO2SCAS 16854-32-3213.29 g/mol

Open in Covalent MOL file
SOHNH2OH
AlcoholPrimary amineSulfide

Properties

Molecular formula
C10H15NO2S
Molar mass
213.29 g/mol
Exact mass
213.0823 Da
logP
0.76Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
16854-32-3
SMILES
CSc1ccc([C@H](O)[C@@H](N)CO)cc1
InChIKey
IULJJGJXIGQINK-UWVGGRQHSA-N
InChI
InChI=1S/C10H15NO2S/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9-,10-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Propanediol, 2-amino-1-[4-(methylthio)phenyl]-, (1S,2S)-
  • 1,3-Propanediol, 2-amino-1-[p-(methylthio)phenyl]-, threo-(+)-
  • 1,3-Propanediol, 2-amino-1-[4-(methylthio)phenyl]-, [S-(R*,R*)]-
  • Thiomicamine
  • L-Threo-(+)-2-Amino-1-(4-methylthiophenyl)-1,3-propanediol
  • (+)-Thiomicamine
  • (1S*,2S*)-(+)-Thiomicamine
  • (1S,2S)-2-Amino-1-(4-methylsulfanylphenyl)-1,3-propanediol
  • (1S,2S)-(+)-Thiomicamine

Work with (1S,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol

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

(1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-160 % similar (1R,2R)-2-Amino-1-phenyl-1,3-propanediol46032-98-860 % similar 2-Amino-1-(4-nitrophenyl)-1,3-propanediol119-62-051 % similar (1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol2964-48-951 % similar Chloramphenicol base716-61-051 % similar 4-(Methylthio)benzenemethanol3446-90-041 % similar 4-(Methylthio)aniline104-96-136 % similar 4-(Methylthio)phenol1073-72-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R)-10,10-Dimethyl-3λ[6]-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione107869-45-4 4-N-Butylbenzenesulfonamide1135-00-8 Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-8 N-Butylbenzenesulfonamide3622-84-2 (3aS,6R)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide60886-80-8 4-tert-Butylbenzenesulfonamide6292-59-7 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook