Basic information
- CAS
13287-48-4- Standard SMILES
CCCCCCOC(=O)CSC#N- InChIKey
USSDLSWIXCOFDV-UHFFFAOYSA-N- Molecular formula
- C9H15NO2S
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.08234989
Names & identifiers
- Preferred name
- Hexyl 2-thiocyanatoacetate
- IUPAC
- hexyl 2-thiocyanatoacetate
- English name
- Thiocyanatoacetic acid hexyl ester
- Molecular weight
- 0
Names & synonyms
hexyl 2-thiocyanatoacetate13287-48-4ACETIC ACID, THIOCYANATO-, HEXYL ESTERDTXSID20157823RefChem:1086666DTXCID1080314Thiocyanatoacetic acid hexyl esterThiocyano-essigsaeure-n-hexyl-esterBRN 1778284Thiocyano-essigsaeure-n-hexyl-ester [German]n- Hexyl-thiocyano-acetatHexyl (thiocyanato)acetate
Show more names
Hexyl=thiocyanatoacetate
3-03-00-00431 (Beilstein Handbook Reference)
Database identifiers
- CAS
13287-48-4- PubChem CID
- 25836
- DTXSID
DTXSID20157823- Nikkaji
- J54.909F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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