CAS No.74407-70-8,(R)-3-(benzoylthio)-2-methylpropionic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74407-70-8
Name:	(R)-3-(benzoylthio)-2-methylpropionic acid
Article Data:	2

Formula:	C₁₁H₁₂O₃S
Molecular Weight:	224.28
Synonyms:	(R)-(+)-3-(Benzoylthio)-2-methylpropionicacid;3-(benzoylsulfanyl)-2-methylpropanoic acid;(S)-3-(Benzoylthio)-2-methylpropionic acid;2-methyl-3-(phenylcarbonylthio)propanoic acid;propanoic acid, 3-(benzoylthio)-2-methyl-;
EINECS:	277-857-4
Density:	1.249 g/cm³
Boiling Point:	367.5 °C at 760 mmHg
Flash Point:	176 °C
PSA:	79.67000
LogP:	2.28070

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Specification

The Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI), with the CAS registry number 74407-70-8, is also known as 3-(Benzoylthio)-2-methylpropanoic acid. Its EINECS number is 277-857-4. This chemical's molecular formula is C₁₁H₁₂O₃S and molecular weight is 224.28. What's more, its systematic name is 3-(benzoylsulfanyl)-2-methylpropanoic acid.

Physical properties of Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI) are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): -0.7; (5)ACD/BCF (pH 5.5): 1.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.91; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 68.67 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 59.69 cm³; (15)Molar Volume: 179.4 cm³; (16)Polarizability: 23.66×10^-24 cm³; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 176 °C; (20)Enthalpy of Vaporization: 64.78 kJ/mol; (21)Boiling Point: 367.5 °C at 760 mmHg; (22)Vapour Pressure: 4.77E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)C(CSC(=O)c1ccccc1)C
(2)InChI: InChI=1/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
(3)InChIKey: BCAYPPFBOJCRPN-UHFFFAOYAC