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Molecule
Cyazofamid
CAS: 120116-88-3 · C13H13ClN4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 120116-88-3
- Molecular Formula
- C13H13ClN4O2S
- Molecular Mass
- 324.79 g/mol
Identifiers
CAS Registry Number
120116-88-3
SMILES
Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1
InChI Key
YXKMMRDKEKCERS-UHFFFAOYSA-N
InChI
InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
Names and Synonyms
- Cyazofamid Common Name
- 1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)- Synonym
- 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide Synonym
- (4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide) Synonym
- IKF 916 Synonym
- Ranman Synonym
- Docious Synonym
- Mildicut Synonym
- Cyamidazosulfamid Synonym
- Cyazofamid Synonym
- BAS 54500F Synonym
- Fendazosulam Synonym
- Ranman Flowable Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.79 g/mol | CAS Common Chemistry |
| 324.79300000000006 g/mol | RDKit | |
| 324.793 g/mol | RDKit | |
| 324.783 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyazofamid | CAS Common Chemistry |
| Canonical SMILES | N#CC1=NC(Cl)=C(C=2C=CC(=CC2)C)N1S(=O)(=O)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YXKMMRDKEKCERS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyazofamid | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 78.99 Ų | RDKit |
| LogP | 2.0381 | RDKit |
| Molar Refractivity | 80.12980000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2308 | RDKit |
| 0.23 | chempirical lib | |
| Exact Mass | 324.04477433600005 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.
External Resources
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MW = 324.79 g/mol. Edit any field — others recompute live.
