Ether, bis(isothiocyanomethyl)
Basic information
- CAS
63918-92-3- Standard SMILES
S=C=NCOCN=C=S- InChIKey
HKNQJEYPYMYISH-UHFFFAOYSA-N- Molecular formula
- C4H4N2OS2
- Average molar mass
- 160.2 g/mol
- Monoisotopic mass
- 159.9765051
Names & identifiers
- Preferred name
- Ether, bis(isothiocyanomethyl)
- IUPAC
- isothiocyanato(isothiocyanatomethoxy)methane
- English name
- Bis(isothiocyanomethyl) ether
- Molecular formula
- C4H4N2OS2
- Molecular weight
- 160.22
Names & synonyms
TL 273ETHER, BIS(ISOTHIOCYANOMETHYL)63918-92-3DTXSID30213707RefChem:341559DTXCID20136198isothiocyanato(isothiocyanatomethoxy)methaneBis(isothiocyanomethyl) etherDB-297075TL-273Methane, oxybis[isothiocyanato- (9CI)
Database identifiers
- CAS
63918-92-3- PubChem CID
- 45454
- DTXSID
DTXSID30213707- Nikkaji
- J92.987E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 18.5 °C · 18.5 °C
- Boiling point
- 138 °C · 138 °C(Press: 770 Torr)
- Density
- 1.3153 g/cm3 · 1.3153 g/cm3
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…