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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
Names and Synonyms:
Cyazofamid
1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-
4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide
(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)
IKF 916
Ranman
Docious
Mildicut
Cyamidazosulfamid
Cyazofamid
BAS 54500F
Fendazosulam
Ranman Flowable
Identifiers:
SMILES:
Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1
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
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 | 324.79 g/mol | CAS Common Chemistry |
| 324.79300000000006 g/mol | RDKit | |
| 324.04477433600005 g/mol | RDKit | |
| 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 |
| 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 | RDKit |
