Basic information
- CAS
90802-17-8- Standard SMILES
SCCSCCCl- InChIKey
JYQGPOGHUWESSS-UHFFFAOYSA-N- Molecular formula
- C4H9ClS2
- Average molar mass
- 156.7 g/mol
- Monoisotopic mass
- 155.9834203
Names & identifiers
- Preferred name
- 2-[(2-Chloroethyl)sulfanyl]ethane-1-thiol
- IUPAC
- 2-(2-chloroethylsulfanyl)ethanethiol
Names & synonyms
90802-17-8NSC209812-[(2-Chloroethyl)sulfanyl]ethane-1-thiolSCHEMBL5889444DTXSID70281243NSC-20981AKOS006383253
Database identifiers
- CAS
90802-17-8- PubChem CID
- 228232
- DTXSID
DTXSID70281243
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 32.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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