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

Name
1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE
EINECS
CAS No. 343336-94-7
Article Data4
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃ClS
Boiling Point 282.4 °C at 760 mmHg
Molecular Weight 212.743
Flash Point 120.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-chloro-4-[(3-methyl-2-butenyl)thio]- (9CI);
PSA 25.30000
LogP 4.39830

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

Product Name

1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE

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

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