CAS No.212555-23-2,(2,4,6-Trimethoxyphenyl)methanethiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	212555-23-2
Name:	(2,4,6-Trimethoxyphenyl)methanethiol
Article Data:	5

Formula:	C₁₀H₁₄O₃S
Molecular Weight:	214.285
Synonyms:	Benzenemethanethiol, 2,4,6-trimethoxy-;
Density:	1.117 g/cm³
Boiling Point:	325.767 °C at 760 mmHg
Flash Point:	150.819 °C
PSA:	66.49000
LogP:	2.14220

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Specification

The (2,4,6-Trimethoxyphenyl)methanethiol, with the CAS registry number of 212555-23-2, is also known as Benzenemethanethiol, 2,4,6-trimethoxy-. This chemical's molecular formula is C₁₀H₁₄O₃S and molecular weight is 214.284.

Physical properties about the (2,4,6-Trimethoxyphenyl)methanethiol are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 342; (8)ACD/KOC (pH 7.4): 336; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 66.49 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 59.101 cm³; (15)Molar Volume: 191.799 cm³; (16)Surface Tension: 34.832 dyne/cm; (17)Density: 1.117 g/cm³; (18)Flash Point: 150.819 °C; (19)Enthalpy of Vaporization: 54.535 kJ/mol; (20)Boiling Point: 325.767 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(OC)cc(OC)c1CS)C
(2) InChI: InChI=1/C10H14O3S/c1-11-7-4-9(12-2)8(6-14)10(5-7)13-3/h4-5,14H,6H2,1-3H3
(3) InChIKey: WBBBQLNBASXWLG-UHFFFAOYAN