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Molecule
Ethiofencarb
CAS: 29973-13-5 · C11H15NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 29973-13-5
- Molecular Formula
- C11H15NO2S
- Molecular Mass
- 225.31 g/mol
Identifiers
CAS Registry Number
29973-13-5
SMILES
CCSCc1ccccc1OC(O)=NC
InChI Key
HEZNVIYQEUHLNI-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
Names and Synonyms
- Ethiofencarb Synonym
- Phenol, 2-[(ethylthio)methyl]-, 1-(N-methylcarbamate) Synonym
- Carbamic acid, methyl-, α-(ethylthio)-o-tolyl ester Synonym
- Phenol, 2-[(ethylthio)methyl]-, methylcarbamate Synonym
- o-Cresol, α-(ethylthio)-, methylcarbamate Synonym
- Croneton Synonym
- BAY-HOX 1901 Synonym
- Ethiofencarb Synonym
- HOX 1901 Synonym
- α-(Ethylthio)-o-tolyl methylcarbamate Synonym
- 2-[(Ethylthio)methyl]phenyl methylcarbamate Synonym
- Chox 1901 Synonym
- Arylmate Synonym
- Croneton 500 Synonym
- 2-Ethylthiomethyl-phenyl N-methyl-carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.31 g/mol | CAS Common Chemistry |
| 225.313 g/mol | RDKit | |
| 225.306 g/mol | chempirical lib | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.231 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethiofencarb | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C=CC=CC1CSCC)NC | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=HEZNVIYQEUHLNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33.4 °C | CAS Common Chemistry |
| Name | Ethiofencarb | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 2.862300000000001 | RDKit |
| 2.8623 | RDKit | |
| 2.58 | chempirical lib | |
| Molar Refractivity | 64.89380000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 225.08234972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 225.31 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H15NO2S.
