CAS 2899-37-8|(S)-2-Amino-4-methylsulfanyl-butan-1-ol|L-Methioninol|(2S)-2-amino-4-(methylsulfanyl)butan-1-ol|(S)-(-)-Methioninol|L-蛋氨醇|(S)-(-)-2-氨基-4-甲硫基-1-丁醇|(S)-(-)-2-Amino-4-methylthio...

General Information

Structure

Molecular Formula

C₅H₁₃NOS

Molecular Mass

135.22782

Exact Mass

135.07178504

Charge

InChI

InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1

InChIKey

MIQJGZAEWQQAPN-YFKPBYRVSA-N

Canonic Smiles

CSCC[C@@H](CO)N

Isomeric Smiles

S(CC[C@H](N)CO)C

Calculated Properties

JChem

Acid pKa

15.126363

H Acceptors

H Donor

LogD (pH = 5.5)

-3.2582843

LogD (pH = 7.4)

-2.5657992

Log P

-0.24755748

Molar Refractivity

37.7186

Polarizability

15.144757

Polar Surface Area

46.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

(S)-2-Amino-4-methylsulfanyl-butan-1-olL-Methioninol(S)-(-)-MethioninolL-蛋氨醇(S)-(-)-2-氨基-4-甲硫基-1-丁醇(S)-(-)-2-Amino-4-methylthio-1-butanol(S)-2-Amino-4-methylmercapto-1-butanolL-(-)-蛋氨醇L-(-)-Methioninol(S)-2-氨基-4-甲基巯基-1-丁醇(S)-(-)-蛋氨醇H-Met-ol

IUPAC name

(2S)-2-amino-4-(methylsulfanyl)butan-1-ol

IUPAC Traditional name

(2S)-2-amino-4-(methylsulfanyl)butan-1-ol

Names and Identifiers

Registration numbers

PubChem CID

2724404

PubChem SID

16098232024888500

MDL Number

MFCD00004735