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

C₁₀H₁₅NO₂SCAS 16854-32-3213.29 g/mol

Open in Covalent MOL file

Alcohol Primary Amine Sulfide

Properties

Molecular formula: C₁₀H₁₅NO₂S
Molar mass: 213.29 g/mol
Exact mass: 213.0823 Da
logP: 0.76Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4

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

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 N-Butylbenzenesulfonamide3622-84-2 4-tert-Butylbenzenesulfonamide6292-59-7 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-6

Elsewhere

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