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Fenticlor
CAS: 97-24-5 | C12H8Cl2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-24-5
Molecular Formula:
C12H8Cl2O2S
Molecular Mass:
287.17 g/mol
Names and Synonyms:
Fenticlor
Phenol, 2,2′-thiobis[4-chloro-
2,2′-Thiobis[4-chlorophenol]
D 25
CR 305
Bis(2-hydroxy-5-chlorophenyl) sulfide
Novex
Fenticlor
S 7 (antimycotic)
5,5′-Dichloro-2,2′-dihydroxydiphenyl sulfide
Fentichlor
Oksid
2,2′-Dihydroxy-5,5′-dichlorophenyl sulfide
D 25-Antimykotikum
S 7
Ovitrol
HL 1050
Meflorin
Ph 549
2,2′-Dihydroxy-5,5′-dichlorodiphenyl sulfide
NSC 4112
NSC 55636
Identifiers:
SMILES:
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O
InChI:
InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H
Key Properties
Melting Point
174 °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 | 287.17 g/mol | CAS Common Chemistry |
| 287.16700000000003 g/mol | RDKit | |
| 285.96220585599997 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(O)C(SC2=CC(Cl)=CC=C2O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H | CAS Common Chemistry |
| InChI Key | InChIKey=ANUSOIHIIPAHJV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174 °C | CAS Common Chemistry |
| Name | Fenticlor | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.555800000000003 | RDKit |
| Molar Refractivity | 70.35660000000001 | RDKit |
