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Name |
Benzenethiol,2,4,6-trimethyl- |
EINECS | N/A |
CAS No. | 1541-10-2 | Density | 1.009g/cm3 |
PSA | 38.80000 | LogP | 2.90050 |
Solubility | Soluble in alcohol. Insoluble in water. | Melting Point |
142-143°C |
Formula | C9H12S | Boiling Point | 231.8 °C at 760 mmHg |
Molecular Weight | 152.26 | Flash Point | 91.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:; | |
Synonyms |
2-Mesitylenethiol(6CI,7CI,8CI);2,4,6-Trimethylbenzene-1-thiol;2,4,6-Trimethylbenzenethiol;2,4,6-Trimethylphenyl mercaptan;2,4,6-Trimethylthiophenol;2-Mercaptomesitylene;Mercaptomesitylene;Mesityl mercaptan;Mesitylenethiol;Mesitylthiol;NSC 403296; |
Article Data | 15 |
The Benzenethiol,2,4,6-trimethyl-, with CAS registry number 1541-10-2, has the systematic name of 2,4,6-trimethylbenzenethiol. Besides this, it is also called 2,4,6-trimethylbenzene-1-thiol. And the chemical formula of this chemical is C9H12S.
Physical properties of Benzenethiol,2,4,6-trimethyl-: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.3 Å2; (7)Index of Refraction: 1.561; (8)Molar Refractivity: 48.9 cm3; (9)Molar Volume: 150.8 cm3; (10)Polarizability: 19.38×10-24cm3; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 1.009 g/cm3; (13)Flash Point: 91.3 °C; (14)Enthalpy of Vaporization: 44.94 kJ/mol; (15)Boiling Point: 231.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0928 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenethiol,2,4,6-trimethyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Sc1c(cc(cc1C)C)C
(2)InChI: InChI=1/C9H12S/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
(3)InChIKey: PKANQZUPJCMBAK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H12S/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
(5)Std. InChIKey: PKANQZUPJCMBAK-UHFFFAOYSA-N