Basic information
- CAS
5152-99-8- Standard SMILES
O=C(O)CCCSCCCC(=O)O- InChIKey
XSZJHTYADIERFI-UHFFFAOYSA-N- Molecular formula
- C8H14O4S
- Average molar mass
- 206.26 g/mol
- Monoisotopic mass
- 206.0612801
Names & identifiers
- Preferred name
- 4,4'-Sulfanediyldibutanoic acid
- IUPAC
- 4-(3-carboxypropylsulfanyl)butanoic acid
Names & synonyms
4,4'-sulfanediyldibutanoic acid5152-99-8Butanoic acid, 4,4'-thiobis-DTXSID30621222RefChem:284676DTXCID90571976XSZJHTYADIERFI-UHFFFAOYSA-N4,4'-thiodibutanoic acidThiodibuttersaureSCHEMBL756105
Database identifiers
- CAS
5152-99-8- PubChem CID
- 21987751
- DTXSID
DTXSID30621222- Nikkaji
- J802.910E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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