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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
Names and Synonyms:
2-Naphthyl N-Methyl-N-(3-Tolyl)Thiocarbamate
Carbamothioic acid, N-methyl-N-(3-methylphenyl)-, O-2-naphthalenyl ester
Carbanilic acid, m,N-dimethylthio-, O-2-naphthyl ester
Carbamothioic acid, methyl(3-methylphenyl)-, O-2-naphthalenyl ester
Naphthiomate T
O-2-Naphthyl m,N-dimethylthiocarbanilate
2-Naphthyl N-methyl-N-(3-tolyl)thionocarbamate
Tinactin
Tolnaftate
2-Naphthyl N-methyl-N-m-tolylthiocarbamate
2-Naphthyl N-methyl-N-(3-tolyl)thiocarbamate
Tonoftal
Dermoxin
Focusan
Pitrex
Sporiline
Tinaderm
Tolsanil
Tolnaphthate
Phytoderm
Timoped
Hi-Alarzin
Dr. Scholl's Athlete's Foot Spray
Dungistop
Tniaderm
Sch 10144
Tritin
Aftate
Chinofungin
NSC 233648
Tineacure
Identifiers:
SMILES:
Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
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
Key Properties
Melting Point
111 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.42 g/mol | CAS Common Chemistry |
| 307.41800000000006 g/mol | RDKit | |
| 307.10308516400005 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 96.75600000000003 | RDKit |
