Calcium 3,3'-thiobispropionate
Basic information
- CAS
67151-67-1- Standard SMILES
O=C([O-])CCSCCC(=O)[O-].[Ca+2]- InChIKey
IIPIUKIMHUHAEW-UHFFFAOYSA-L- Molecular formula
- C6H8CaO4S
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 215.9769208
Names & identifiers
- Preferred name
- Calcium 3,3'-thiobispropionate
- IUPAC
- calcium 3-(2-carboxylatoethylsulfanyl)propanoate
Names & synonyms
Calcium 3,3'-thiobispropionate67151-67-1EINECS 266-588-8DTXSID80217432RefChem:122753DTXCID80139923266-588-8calcium 3,3'-sulfanediyldipropanoateSCHEMBL5168790NS00086474
Database identifiers
- CAS
67151-67-1- PubChem CID
- 105397
- DTXSID
DTXSID80217432- EC Number
- 266-588-8
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 118
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Compound notes
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