Basic information
- CAS
101670-65-9- Standard SMILES
S=C=Nc1ccc(Cl)c2ccccc12- InChIKey
KMDNKLRJLQTHPA-UHFFFAOYSA-N- Molecular formula
- C11H6ClNS
- Average molar mass
- 219.69 g/mol
- Monoisotopic mass
- 218.9909481
Names & identifiers
- Preferred name
- Isothiocyanic acid, 4-chloro-1-naphthyl ester
- IUPAC
- 1-chloro-4-isothiocyanatonaphthalene
- English name
- 1-chloro-4-isothiocyanato-naphthalene
- Molecular formula
- C11H6ClNS
- Molecular weight
- 0
Names & synonyms
101670-65-9ISOTHIOCYANIC ACID, 4-CHLORO-1-NAPHTHYL ESTER4-Chloro-1-naphthylisothiocyanateBRN 3259202DTXSID001441103-12-00-02962 (Beilstein Handbook Reference)RefChem:350179DTXCID10666011-chloro-4-isothiocyanatonaphthaleneNaphthalene,1-chloro-4-isothiocyanato-NSC172889SCHEMBL6392900
Show more names
1-chloro-4-isothiocyanato-naphthalene
NSC-172889Naphthalene, 1-chloro-4-isothiocyanato-
Database identifiers
- CAS
101670-65-9- PubChem CID
- 58710
- DTXSID
DTXSID00144110- Nikkaji
- J94.703B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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