Carbamothioic acid, methyl-2-naphthalenyl-, O-2-naphthalenyl ester
Basic information
- CAS
1050-10-8- Standard SMILES
CN(C(=S)Oc1ccc2ccccc2c1)c1ccc2ccccc2c1- InChIKey
PZHBZYPUUCYOIA-UHFFFAOYSA-N- Molecular formula
- C22H17NOS
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.10308534
Names & identifiers
- Preferred name
- Carbamothioic acid, methyl-2-naphthalenyl-, O-2-naphthalenyl ester
- IUPAC
- O-naphthalen-2-yl N-methyl-N-naphthalen-2-ylcarbamothioate
- English name
- O-2-naphthyl methyl-2-naphthylthiocarbamate
- Molecular formula
- C22H17NOS
- Molecular weight
- 343.44
Names & synonyms
1050-10-8Carbamothioic acid, methyl-2-naphthalenyl-, O-2-naphthalenyl esterRefChem:1081020O-2-Naphthyl methyl-2-naphthylthiocarbamateNaphthiomate-NBRN 2759948EINECS 213-883-4O-2-Naphthalenyl methyl-2-naphthalenylcarbamothioateo-naphthalen-2-yl methyl(naphthalen-2-yl)carbamothioateO-naphthalen-2-yl N-methyl-N-naphthalen-2-ylcarbamothioate2-Naphthalenecarbamic acid, N-methylthio-, O-2-naphthyl esterDTXSID10909292
Show more names
Methyl(2-naphthalenyl)carbamothioic acid O-(2-naphthalenyl) esterCarbamothioic acid, methyl-2-naphthalenyl-, O-2-naphthalenyl ester (9CI)
PZHBZYPUUCYOIA-UHFFFAOYSA-NNS00043105O-(Naphthalen-2-yl) methyl(naphthalen-2-yl)carbamothioate
Database identifiers
- CAS
1050-10-8- PubChem CID
- 70589
- DTXSID
DTXSID10909292- EC Number
- 213-883-4
- Nikkaji
- J217.163E
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Melting point
- 214 · 214-215 °C
- Boiling point
- 509.8 · 509.8±33.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- -6.77 · -6.77±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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