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Molecule
2-Naphthyl N-Methyl-N-(3-Tolyl)Thiocarbamate
CAS: 2398-96-1 · C19H17NOS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2398-96-1
- Molecular Formula
- C19H17NOS
- Molecular Mass
- 307.42 g/mol
Identifiers
CAS Registry Number
2398-96-1
SMILES
Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
InChI Key
FUSNMLFNXJSCDI-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
Names and Synonyms
- 2-Naphthyl N-Methyl-N-(3-Tolyl)Thiocarbamate Synonym
- Carbamothioic acid, N-methyl-N-(3-methylphenyl)-, O-2-naphthalenyl ester Synonym
- Carbanilic acid, m,N-dimethylthio-, O-2-naphthyl ester Synonym
- Carbamothioic acid, methyl(3-methylphenyl)-, O-2-naphthalenyl ester Synonym
- Naphthiomate T Synonym
- O-2-Naphthyl m,N-dimethylthiocarbanilate Synonym
- 2-Naphthyl N-methyl-N-(3-tolyl)thionocarbamate Synonym
- Tinactin Synonym
- Tolnaftate Synonym
- 2-Naphthyl N-methyl-N-m-tolylthiocarbamate Synonym
- 2-Naphthyl N-methyl-N-(3-tolyl)thiocarbamate Synonym
- Tonoftal Synonym
- Dermoxin Synonym
- Focusan Synonym
- Pitrex Synonym
- Sporiline Synonym
- Tinaderm Synonym
- Tolsanil Synonym
- Tolnaphthate Synonym
- Phytoderm Synonym
- Timoped Synonym
- Hi-Alarzin Synonym
- Dr. Scholl's Athlete's Foot Spray Synonym
- Dungistop Synonym
- Tniaderm Synonym
- Sch 10144 Synonym
- Tritin Synonym
- Aftate Synonym
- Chinofungin Synonym
- NSC 233648 Synonym
- Tineacure Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.42 g/mol | CAS Common Chemistry |
| 307.41800000000006 g/mol | RDKit | |
| 307.418 g/mol | RDKit | |
| 307.411 g/mol | chempirical lib | |
| Canonical SMILES | S=C(OC=1C=CC=2C=CC=CC2C1)N(C3=CC=CC(=C3)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FUSNMLFNXJSCDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111 °C | CAS Common Chemistry |
| Name | 2-Naphthyl N-methyl-N-(3-tolyl)thiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 4.948320000000003 | RDKit |
| 4.9483 | RDKit | |
| Molar Refractivity | 96.75600000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1053 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 307.10308516400005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 307.42 g/mol. Edit any field — others recompute live.
