Basic information
- Name:
1-Pentanol,2-mercapto-2-methyl-
- Superlist Name:
- 2-Mercapto-2-methyl-1-pentanol
- CAS No.:
258823-39-1
- Molecular Structure:
- Formula:
- C6H14OS
- Molecular Weight:
- 134.24
- Synonyms:
- 2-Mercapto-2-methyl-1-pentanol;
- Density:
- 0.964g/cm3
- Boiling Point:
- 194 °C at 760 mmHg
- Flash Point:
- 71.1 °C
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Specification
The 2-Mercapto-2-methyl-1-pentanol with the cas number 258823-39-1 is also called 1-Pentanol,2-mercapto-2-methyl-. Its molecular formula is C6H14OS. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.56; (6)ACD/BCF (pH 7.4): 8.52; (7)ACD/KOC (pH 5.5): 161.84; (8)ACD/KOC (pH 7.4): 161.02; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 39.24 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 15.55×10-24cm3; (17)Surface Tension: 33.3 dyne/cm; (18)Enthalpy of Vaporization: 50.06 kJ/mol; (19)Vapour Pressure: 0.119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(S)(C)CCC
(2)InChI: InChI=1/C6H14OS/c1-3-4-6(2,8)5-7/h7-8H,3-5H2,1-2H3
(3)InChIKey: KMWFJTAZFAREIH-UHFFFAOYAC
