Basic information
- CAS
6297-99-0- Standard SMILES
C=CCS(=O)CCC(N)C(=O)O- InChIKey
ZFPOSLRBOMJNCZ-UHFFFAOYSA-N- Molecular formula
- C7H13NO3S
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.06161445
Names & identifiers
- Preferred name
- 2-Amino-4-prop-2-enylsulfinylbutanoic acid
- IUPAC
- 2-amino-4-prop-2-enylsulfinylbutanoic acid
Names & synonyms
6297-99-0NSC45846DTXSID10978842NSC-45846DS-0129272-amino-4-prop-2-enylsulfinyl-butanoic acid2-Amino-4-(prop-2-ene-1-sulfinyl)butanoic acid
Database identifiers
- CAS
6297-99-0- PubChem CID
- 240004
- DTXSID
DTXSID10978842
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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