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Cas Database |
| Name |
2-Chloroethanethioic acid S-(4-methylphenyl) ester |
EINECS | N/A |
| CAS No. | 24197-66-8 | Density | 1.24 g/cm3 |
| PSA | 42.37000 | LogP | 2.85250 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H9ClOS | Boiling Point | 291.351 °C at 760 mmHg |
| Molecular Weight | 200.689 | Flash Point | 130 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
S-Chloroacetyl-p-mercaptotoluene;Aceticacid, chlorothio-, S-p-tolyl ester (8CI);NSC 166433; |
Article Data | 4 |
2-Chloroethanethioic acid S-(4-methylphenyl) ester Specification
The Ethanethioic acid,2-chloro-, S-(4-methylphenyl) ester, with the CAS registry number 24197-66-8, is also known as NSC166433. This chemical's molecular formula is C9H9ClOS and molecular weight is 200.68516. Its IUPAC name is called S-(4-methylphenyl) 2-chloroethanethioate.
Physical properties of Ethanethioic acid,2-chloro-, S-(4-methylphenyl) ester: (1)ACD/LogP: 2.92; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.577; (5)Molar Refractivity: 53.59 cm3; (6)Molar Volume: 161.7 cm3; (7)Surface Tension: 44.8 dyne/cm; (8)Density: 1.24 g/cm3; (9)Flash Point: 130 °C; (10)Enthalpy of Vaporization: 53.08 kJ/mol; (11)Boiling Point: 291.4 °C at 760 mmHg; (12)Vapour Pressure: 0.00196 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)SC(=O)CCl
(2)InChI: InChI=1S/C9H9ClOS/c1-7-2-4-8(5-3-7)12-9(11)6-10/h2-5H,6H2,1H3
(3)InChIKey: PZCWLOADIZFERQ-UHFFFAOYSA-N
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