4-Thiocyanatohexan-3-yl thiocyanate
Basic information
- CAS
30647-63-3- Standard SMILES
CCC(SC#N)C(CC)SC#N- InChIKey
IGFDOZQXPSYROI-UHFFFAOYSA-N- Molecular formula
- C8H12N2S2
- Average molar mass
- 200.3 g/mol
- Monoisotopic mass
- 200.04419074
Names & identifiers
- Preferred name
- 4-Thiocyanatohexan-3-yl thiocyanate
- IUPAC
- 4-thiocyanatohexan-3-yl thiocyanate
Names & synonyms
30647-63-34-thiocyanatohexan-3-yl thiocyanateNSC189691DTXSID90307136hexane-3,4-diyl bis(thiocyanate)NSC-189691
Database identifiers
- CAS
30647-63-3- PubChem CID
- 302589
- DTXSID
DTXSID90307136
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…