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| CAS No.: | 931-59-9 |
|---|---|
| Name: | Phenylsulfenylchloride |
| Molecular Structure: | |
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| Formula: | C6H5ClS |
| Molecular Weight: | 144.625 |
| Synonyms: | Phenylchloro sulfide;Phenylthio chloride;Phenylsulfenylchloride; |
| EINECS: | 632-987-4 |
| Density: | 1.25 g/cm3 |
| Melting Point: | 44 °C |
| Boiling Point: | 261.7 °C at 760 mmHg |
| Flash Point: | 110.3 °C |
| Appearance: | wine hygroscopic oily liquid |
| PSA: | 25.30000 |
| LogP: | 2.93250 |
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| Conditions | Yield |
|---|---|
| With chlorine In dichloromethane at 0℃; for 0.333333h; | 100% |
| With (Dichloroiodo)benzene In dichloromethane at 20℃; for 0.333333h; | 95% |
| With chlorine In tetrachloromethane at -78℃; | 93% |
| Conditions | Yield |
|---|---|
| With tetrachloromethane at 0℃; | 96% |
| With thionyl chloride In dichloromethane at 0℃; for 1h; | 95% |
| With N-chloro-succinimide In dichloromethane at 0℃; for 0.25h; Inert atmosphere; Schlenk technique; | 95% |
- 4837-33-6
o-nitrobenzenesulfenanilide
- 874-60-2
4-methyl-benzoyl chloride
A
- 6833-18-7
4-methyl-N-phenylbenzamide
B
- 931-59-9
benzenesulfenyl chloride
| Conditions | Yield |
|---|---|
| With Allyl ether; triphenylphosphine In 1,4-dioxane at 18 - 20℃; for 5h; | A 95.5% B n/a |
| Conditions | Yield |
|---|---|
| at 0℃; | A n/a B 95% |
- 14933-91-6
N-phenyl-benzenesulphenamide
- 98-88-4
benzoyl chloride
A
- 93-98-1
N-phenyl benzoyl amide
B
- 931-59-9
benzenesulfenyl chloride
| Conditions | Yield |
|---|---|
| With Allyl ether; triethylphosphine In 1,4-dioxane at 18 - 20℃; for 5h; | A 93% B n/a |
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In tetrachloromethane for 0.5h; Ambient temperature; | 81% |
- 76794-16-6
3-chloro-2-phenyl-1H-indole
- 882-33-7
diphenyldisulfane
A
- 106345-32-8
2‐phenyl‐3‐(phenylthio)‐1H‐indole
B
- 931-59-9
benzenesulfenyl chloride
| Conditions | Yield |
|---|---|
| In benzene for 4h; Ambient temperature; Irradiation; | A 79% B n/a |
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In dichloromethane for 0.166667h; | A 70% B n/a |
- 128-09-6
N-chloro-succinimide
- 882-33-7
diphenyldisulfane
A
- 14204-24-1
N-(phenylthio)succinimide
B
- 931-59-9
benzenesulfenyl chloride
| Conditions | Yield |
|---|---|
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In dichloromethane at 20℃; for 2h; Reagent/catalyst; Solvent; | A 38% B n/a |
| Conditions | Yield |
|---|---|
| With benzene |
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Specification
The Benzenesulfenylchloride, with the CAS registry number of 931-59-9, is also known as Phenylthio chloride. This chemical's molecular formula is C6H5ClS and molecular weight is 144.6219. What's more, its systematic name is Benzenesulfenyl chloride. In addition, it is unsteady when in contact with H2O. Besides, it can be used as phenylthio reagent, and it's the intermediate to get anti-scorching agent PTP.
Physical properties about Benzenesulfenylchloride are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 335.32; (6)ACD/BCF (pH 7.4): 335.32; (7)ACD/KOC (pH 5.5): 2235.27; (8)ACD/KOC (pH 7.4): 2235.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 39.59 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 15.69×10-24 cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 110.3 °C; (20)Enthalpy of Vaporization: 47.93 kJ/mol; (21)Boiling Point: 261.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0185 mmHg at 25 °C.
Preparation of Benzenesulfenylchloride: this chemical can be produced by Thiophenols' chlorination. First add N-Heptane (or Cyclohexanol) to three mouth bottle, cool it to - 5-0 °C. Then drop Thiophenols slowly when mixing the N-Heptane. Simultaneously, add dry Chlorine into the reaction solution until it turns reddish brown to get Benzenesulfenylchloride.
You can still convert the following datas into molecular structure:
(1) SMILES: ClSc1ccccc1
(2) InChI: InChI=1/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
(3) InChIKey: JWUKZUIGOJBEPC-UHFFFAOYAS