Basic information
- CAS
73927-57-8- Standard SMILES
N#CSCc1ccc(Oc2ccc(CSC#N)cc2)cc1- InChIKey
AKGAFSKMKQKTTQ-UHFFFAOYSA-N- Molecular formula
- C16H12N2OS2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.03910536
Names & identifiers
- Preferred name
- Ether, bis(4,4'-thiocyanatomethylphenyl)
- IUPAC
- [4-[4-(thiocyanatomethyl)phenoxy]phenyl]methyl thiocyanate
- English name
- Bis(4-thiocyanatomethylphenyl) ether
- Molecular formula
- C16H12N2OS2
- Molecular weight
- 312.41
Names & synonyms
ETHER, BIS(4,4'-THIOCYANATOMETHYLPHENYL)73927-57-8Bis-(4,4'-thiocyanatomethyl)phenyl etherDTXSID40224546RefChem:341556DTXCID70147037[Oxybis(4,1-phenylene)methylene] bis(thiocyanate)Bis(4-thiocyanatomethylphenyl) etherThiocyanic acid, oxybis(4,1-phenylenemethylene) ester (9CI)
Database identifiers
- CAS
73927-57-8- PubChem CID
- 52736
- DTXSID
DTXSID40224546- Nikkaji
- J92.990E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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