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Basic information
- CAS
155187-01-2- Standard SMILES
CC(=O)SCCI- InChIKey
SRWMIQCZJXNMHW-UHFFFAOYSA-N- Molecular formula
- C4H7IOS
- Average molar mass
- 230.07 g/mol
- Monoisotopic mass
- 229.92623384
Names & identifiers
- Preferred name
- 2-Acetylthio-1-iodoethane
- IUPAC
- S-(2-iodoethyl) ethanethioate
Names & synonyms
2-acetylthio-1-iodoethane155187-01-2S-(2-iodoethyl) ethanethioateSCHEMBL8711931SRWMIQCZJXNMHW-UHFFFAOYSA-NDTXSID501307600
Database identifiers
- CAS
155187-01-2- PubChem CID
- 19083077
- DTXSID
DTXSID501307600- Nikkaji
- J2.942.925A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.7
Related reactions
1 records
Compound notes
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