3-Pentanethiol,2,2,4,4-tetramethyl- supplier

Name
2,2,4,4-tetramethylpentane-3-thiol
EINECS
CAS No. 57602-97-8
Density 0.836 g/cm³
Solubility
Melting Point
Formula C₉H₂₀S
Boiling Point 165.8 °C at 760 mmHg
Molecular Weight 160.324
Flash Point 43.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2,4,4-Tetramethylpentane-3-thiol;
PSA
LogP

3-Pentanethiol,2,2,4,4-tetramethyl- Specification

The CAS registry number of 3-Pentanethiol,2,2,4,4-tetramethyl- is 57602-97-8. This chemical's molecular formula is C₉H₂₀S and molecular weight is 160.3201. What's more, its systematic name is called 2,2,4,4-Tetramethylpentane-3-thiol.

Physical properties about 3-Pentanethiol,2,2,4,4-tetramethyl- are: (1)ACD/LogP: 4.05; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 706.99; (6)ACD/BCF (pH 7.4): 706.63; (7)ACD/KOC (pH 5.5): 3812.52; (8)ACD/KOC (pH 7.4): 3810.58; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 51.53 cm³; (15)Molar Volume: 191.6 cm³; (16)Polarizability: 20.42×10^-24 cm³; (17)Surface Tension: 25.2 dyne/cm; (18)Density: 0.836 g/cm³; (19)Flash Point: 43.2 °C; (20)Enthalpy of Vaporization: 38.58 kJ/mol; (21)Boiling Point: 165.8 °C at 760 mmHg; (22)Vapour Pressure: 2.42 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: SC(C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1/C9H20S/c1-8(2,3)7(10)9(4,5)6/h7,10H,1-6H3
(3) InChIKey: NURHHWDAGYITJM-UHFFFAOYAW

Product Name

2,2,4,4-tetramethylpentane-3-thiol

3-Pentanethiol,2,2,4,4-tetramethyl- Specification

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