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Benzene,1-chloro-4-[(3-methyl-2-buten-1-yl)thio]-

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Name

Benzene,1-chloro-4-[(3-methyl-2-buten-1-yl)thio]-

EINECS N/A
CAS No. 343336-94-7 Density 1.11 g/cm3
PSA 25.30000 LogP 4.39830
Solubility N/A Melting Point N/A
Formula C11H13ClS Boiling Point 282.4 °C at 760 mmHg
Molecular Weight 212.743 Flash Point 120.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 343336-94-7 (1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE) Hazard Symbols N/A
Synonyms

Benzene,1-chloro-4-[(3-methyl-2-butenyl)thio]- (9CI);

Article Data 4

Benzene,1-chloro-4-[(3-methyl-2-buten-1-yl)thio]- Specification

The Benzene, 1-chloro-4-[(3-methyl-2-buten-1-yl)thio]-, with the CAS registry number of 343336-94-7, is also known as 1-Chloro-4-[(3-methyl-2-butenyl)thio] benzene. This chemical's molecular formula is C11H13ClS and molecular weight is 212.73892. What's more, its systematic name is called 1-Chloro-4-[(3-methylbut-2-en-1-yl)sulfanyl]benzene.

Physical properties about Benzene, 1-chloro-4-[(3-methyl-2-buten-1-yl)thio]- are: (1)ACD/LogP: 5.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.61; (4)ACD/LogD (pH 7.4): 5.61; (5)ACD/BCF (pH 5.5): 10810.6; (6)ACD/BCF (pH 7.4): 10810.6; (7)ACD/KOC (pH 5.5): 26854.62; (8)ACD/KOC (pH 7.4): 26854.62; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 62.42 cm3; (15)Molar Volume: 190.6 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.11 g/cm3; (18)Flash Point: 120.9 °C; (19)Enthalpy of Vaporization: 50.03 kJ/mol; (20)Boiling Point: 282.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00574 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(SC\C=C(/C)C)cc1
(2) InChI: InChI=1/C11H13ClS/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-7H,8H2,1-2H3
(3) InChIKey: UYLXNFLIVPSLEL-UHFFFAOYAA

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