1,5-Naphthalenediyldiisothiocyanate
Basic information
- CAS
73825-57-7- Standard SMILES
S=C=Nc1cccc2c(N=C=S)cccc12- InChIKey
GDZKOGLUMKYXSW-UHFFFAOYSA-N- Molecular formula
- C12H6N2S2
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 241.99724055
Names & identifiers
- Preferred name
- 1,5-Naphthalenediyldiisothiocyanate
- IUPAC
- 1,5-diisothiocyanatonaphthalene
- English name
- 1,5-Naphthalenediyldiisothiocyanate
- Molecular formula
- C12H6N2S2
- Molecular weight
- 242.32
Names & synonyms
1,5-DiisothiocyanatonaphthaleneNaphthalene, 1,5-diisothiocyanato-ISOTHIOCYANIC ACID, 1,5-NAPHTHYLENE ESTER1,5-NaphthalenediyldiisothiocyanateNSC 103603BRN 2724985ISD0872BT8NSC-103603UNII-ISD0872BT8DTXSID802242821,5-NAPHTHALENEDIYL DIISOTHIOCYANATERefChem:196845
Show more names
DTXCID80146773Naphthalene, 1,5-diisothiocyanato-(9CI)73825-57-7NCIOpen2_007282WLN: L66J BNCS GNCSNaphthalene,5-diisothiocyanato-SCHEMBL1997655NSC103603
Database identifiers
- CAS
73825-57-7- PubChem CID
- 52617
- DTXSID
DTXSID80224282- UNII
- ISD0872BT8
- Nikkaji
- J94.648F
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
LogP4.43
Physicochemical properties
- FDA UNII
- 872 BT8 · ISD0872BT8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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