Thiocyanic acid, 2-amino-1-naphthalenyl ester
Basic information
- CAS
2476-69-9- Standard SMILES
N#CSc1c(N)ccc2ccccc12- InChIKey
XMPBYXODMLJBAN-UHFFFAOYSA-N- Molecular formula
- C11H8N2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.04081944
Names & identifiers
- Preferred name
- Thiocyanic acid, 2-amino-1-naphthalenyl ester
- IUPAC
- (2-aminonaphthalen-1-yl) thiocyanate
Names & synonyms
Thiocyanic acid, 2-amino-1-naphthalenyl ester2476-69-91-thiocyanatonaphthalene-2-amineDTXSID10332561(2-amino-1-naphthyl) thiocyanate2-Aminonaphthalen-1-yl thiocyanateThiocyanic acid, 2-amino-1-naphthyl ester
Database identifiers
- CAS
2476-69-9- PubChem CID
- 458737
- DTXSID
DTXSID10332561- Nikkaji
- J1.975.168F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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