Basic information
- Standard SMILES
CC(C)CC(S)C(=O)O- InChIKey
VOKMUKPTVFXIMU-UHFFFAOYSA-N- Molecular formula
- C6H12O2S
- Average molar mass
- 148.23 g/mol
Names & identifiers
- Preferred name
- 2-Mercapto-4-Methylpentanoic Acid
- IUPAC
- 4-methyl-2-sulfanylpentanoic acid
Names & synonyms
4-methyl-2-sulfanylpentanoic acid1248942-53-12-Mercapto-4-Methylpentanoic AcidCHEMBL270102-Mercapto-4-methyl-pentanoic acidisobutylthioglycolic acidSCHEMBL22030324-methyl-2-sulfanylpentanoicacidVOKMUKPTVFXIMU-UHFFFAOYSA-NBDBM50036814AKOS011598853CS-0274067
Show more names
EN300-1267946
Database identifiers
- PubChem CID
- 13633258
- ChEMBL
CHEMBL27010
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Related reactions
3 records
Compound notes
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