Phenol,2-(methylsulfinyl)- supplier

Name
2-(METHYLSULFINYL)BENZENOL
EINECS
CAS No. 1074-02-8
Article Data7
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 118-122 °C
Formula C₇H₈O₂S
Boiling Point 327.9 °C at 760 mmHg
Molecular Weight 156.205
Flash Point 152.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xi:Harmful/Irritant/Keep
Molecular Structure
Hazard Symbols Xi
Synonyms Phenol,o-(methylsulfinyl)- (7CI,8CI);2-(Methylsulfinyl)phenol;
PSA 56.51000
LogP 1.99530

Phenol,2-(methylsulfinyl)- Specification

This chemical is called Phenol,2-(methylsulfinyl)-, and its systematic name is 2-(Methylsulfinyl)phenol. With the molecular formula of C₇H₈O₂S, its molecular weight is 156.20. The CAS registry number of the chemical is 1074-02-8. Additionally, its product categories are Blocks; BuildingBlocks.

Other characteristics of Phenol,2-(methylsulfinyl)- can be summarised as followings: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.72; (8)ACD/KOC (pH 7.4): 11.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.51 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 41.78 cm³; (15)Molar Volume: 114.1 cm³; (16)Polarizability: 16.56×10^-24cm³; (17)Surface Tension: 71.5 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 152.1 °C; (20)Enthalpy of Vaporization: 59.29 kJ/mol; (21)Boiling Point: 327.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(c1ccccc1O)C
2.InChI: InChI=1/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
3.InChIKey: VMTHIQRJDDCEQD-UHFFFAOYAT
4.Std. InChI: InChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
5.Std. InChIKey: VMTHIQRJDDCEQD-UHFFFAOYSA-N

Product Name

2-(METHYLSULFINYL)BENZENOL

Phenol,2-(methylsulfinyl)- Specification

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