Propanoic acid,2-[(4-bromophenyl)thio]-2-methyl- supplier

Name
2-[(4-BROMOPHENYL)THIO]-2-METHYL-PROPANOIC ACID
EINECS
CAS No. 18527-16-7
Density 1.54 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO₂S
Boiling Point 371.2 °C at 760 mmHg
Molecular Weight 275.166
Flash Point 178.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionicacid, 2-[(p-bromophenyl)thio]-2-methyl- (7CI,8CI);
PSA 62.60000
LogP 3.40440

Propanoic acid,2-[(4-bromophenyl)thio]-2-methyl- Specification

The CAS registry number of Propanoic acid,2-[(4-bromophenyl)thio]-2-methyl- is 18527-16-7. Its molecular formula is C₁₀H₁₁BrO₂S and molecular weight is 275.16. Its systematic name is called 2-[(4-bromophenyl)sulfanyl]-2-methylpropanoic acid.

Physical properties about Propanoic acid,2-[(4-bromophenyl)thio]-2-methyl- are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 4.26; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.93; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 62.66 cm³; (14)Molar Volume: 178 cm³; (15)Surface Tension: 55.4 dyne/cm; (16)Density: 1.54 g/cm³; (17)Flash Point: 178.3 °C; (18)Enthalpy of Vaporization: 65.22 kJ/mol; (19)Boiling Point: 371.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(SC(C(=O)O)(C)C)cc1
(2)InChI: InChI=1/C10H11BrO2S/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
(3)InChIKey: RPYIWZPTHRVHDV-UHFFFAOYAS

Product Name

2-[(4-BROMOPHENYL)THIO]-2-METHYL-PROPANOIC ACID

Propanoic acid,2-[(4-bromophenyl)thio]-2-methyl- Specification

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