Thiocyanic acid, 2-(2'-chloroethoxy)ethyl ester
Basic information
- CAS
55982-45-1- Standard SMILES
N#CSCCOCCCl- InChIKey
IQJWXYSVLWVEJZ-UHFFFAOYSA-N- Molecular formula
- C5H8ClNOS
- Average molar mass
- 165.64 g/mol
- Monoisotopic mass
- 165.0015127
Names & identifiers
- Preferred name
- Thiocyanic acid, 2-(2'-chloroethoxy)ethyl ester
- IUPAC
- 2-(2-chloroethoxy)ethyl thiocyanate
Names & synonyms
55982-45-1Thiocyanic acid, 2-(2'-chloroethoxy)ethyl esterRefChem:1099982Latka 47 [Czech]2-(2-chloroethoxy)ethyl thiocyanateCompound 47Latka 472-Chloroethyl-2'-thiocyanatoethyl etherbeta-Chloro-beta'-thiocyanodiethyl etherEther, 2-chloroethyl 2'-thiocyanatoethyl2-Chlorethyl-2'-thiokyanatoethylether [Czech]DTXSID70971379
Show more names
2-Chlorethyl-2'-thiokyanatoethyletherAKOS006385378
Database identifiers
- CAS
55982-45-1- PubChem CID
- 91966
- DTXSID
DTXSID70971379
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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