Back to Search
Methiocarb
CAS: 2032-65-7 | C11H15NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2032-65-7
Molecular Formula:
C11H15NO2S
Molecular Mass:
225.31 g/mol
Names and Synonyms:
Methiocarb
Phenol, 3,5-dimethyl-4-(methylthio)-, 1-(N-methylcarbamate)
Phenol, 3,5-dimethyl-4-(methylthio)-, methylcarbamate
Carbamic acid, methyl-, 4-(methylthio)-3,5-xylyl ester
B 37344
BAY 37344
Mesurol
4-Methylthio-3,5-dimethylphenyl methylcarbamate
4-(Methylthio)-3,5-xylyl methylcarbamate
Metmercapturon
BAY 5024
DCR 736
Mercaptodimethur
Mesurol phenol
Methiocarb
4-(Methylthio)-3,5-xylyl-N-methylcarbamate
SD 9228
3,5-Dimethyl-4-(methylthio)phenyl methylcarbamate
Draza
Mesurol 50
Mesurol 500FS
Identifiers:
SMILES:
CN=C(O)Oc1cc(C)c(SC)c(C)c1
InChI:
InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
Key Properties
Melting Point
119 °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 | 225.31 g/mol | CAS Common Chemistry |
| 225.313 g/mol | RDKit | |
| 225.08234972 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methiocarb | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C=C(C(SC)=C(C1)C)C)NC | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=YFBPRJGDJKVWAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | Methiocarb | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| LogP | 2.947940000000002 | RDKit |
| Molar Refractivity | 64.31280000000002 | RDKit |
