(2S)-4-Methyl-2-sulfanylpentanoic acid

HCID 13633259
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Basic information

CAS
66386-08-1
Standard SMILES
CC(C)C[C@H](S)C(=O)O
InChIKey
VOKMUKPTVFXIMU-YFKPBYRVSA-N
Molecular formula
C6H12O2S
Average molar mass
148.23 g/mol
Monoisotopic mass
148.05580079

Names & identifiers

Preferred name
(2S)-4-Methyl-2-sulfanylpentanoic acid
IUPAC
(2S)-4-methyl-2-sulfanylpentanoic acid

Names & synonyms

(2S)-4-Methyl-2-sulfanylpentanoic acid66386-08-1SCHEMBL2978202DTXSID50545491VOKMUKPTVFXIMU-YFKPBYRVSA-NAKOS006378230(S)-2-mercapto-4 methylpentanoic acid(S)-2-mercapto-4-methylpentanoic acid

Database identifiers

CAS
66386-08-1
PubChem CID
13633259
DTXSID
DTXSID50545491
Nikkaji
J84.242G

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
38.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Related reactions

2 records
New reaction record

Compound notes

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