(Naphthalen-1-ylsulfanyl)-acetonitrile
Basic information
- CAS
5398-91-4- Standard SMILES
N#CCSc1cccc2ccccc12- InChIKey
UPUPCBBQPQQWRB-UHFFFAOYSA-N- Molecular formula
- C12H9NS
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.04557046
Names & identifiers
- Preferred name
- (Naphthalen-1-ylsulfanyl)-acetonitrile
- IUPAC
- 2-naphthalen-1-ylsulfanylacetonitrile
Names & synonyms
5398-91-4(Naphthalen-1-ylsulfanyl)-acetonitrileNSC3647SCHEMBL2117757DTXSID80968795UPUPCBBQPQQWRB-UHFFFAOYSA-NNSC-3647[(Naphthalen-1-yl)sulfanyl]acetonitrile
Database identifiers
- CAS
5398-91-4- PubChem CID
- 220640
- DTXSID
DTXSID80968795
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
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Compound notes
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