Phenol,4-(2-methyl-1,3-dithiolan-2-yl)- supplier

Name
2-(4-HYDROXYPHENYL)-2-METHYL-1,3-DITHIOLAN
EINECS
CAS No. 22068-57-1
Article Data6
CAS DataBase
Density 1.258 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂OS₂
Boiling Point 365.7 °C at 760 mmHg
Molecular Weight 212.337
Flash Point 177.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms p-(2-Methyl-1,3-dithiolan-2-yl)phenol;
PSA 70.83000
LogP 3.04490

Phenol,4-(2-methyl-1,3-dithiolan-2-yl)- Specification

The Phenol,4-(2-methyl-1,3-dithiolan-2-yl)-, with the CAS registry number of 22068-57-1, is also known as p-(2-Methyl-1,3-dithiolan-2-yl)phenol. This chemical's molecular formula is C₁₀H₁₂OS₂ and molecular weight is 212.33. What's more, its IUPAC name is 4-(2-Methyl-1,3-dithiolan-2-yl)phenol. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the Phenol,4-(2-methyl-1,3-dithiolan-2-yl)- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 59.83 Å²; (7)Index of Refraction: 1.644; (8)Molar Refractivity: 61.09 cm³; (9)Molar Volume: 168.7 cm³; (10)Surface Tension: 56.8 dyne/cm; (11)Density: 1.258 g/cm³; (12)Flash Point: 177.8 °C; (13)Enthalpy of Vaporization: 63.61 kJ/mol; (14)Boiling Point: 365.7 °C at 760 mmHg; (15)Vapour Pressure: 7.31E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S1C(SCC1)(c2ccc(O)cc2)C
(2) InChI: InChI=1/C10H12OS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5,11H,6-7H2,1H3
(3) InChIKey: QTPANKHZSIPRCL-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1gm/kg (1000mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

Product Name

2-(4-HYDROXYPHENYL)-2-METHYL-1,3-DITHIOLAN

Phenol,4-(2-methyl-1,3-dithiolan-2-yl)- Specification

Related Products

Hot Products