2-Propanol,1,3-bis(methylthio)- supplier

Name
1,3-BIS(METHYLTHIO)-2-PROPANOL
EINECS 250-814-7
CAS No. 31805-83-1
Density 1.112 g/cm³
Solubility
Melting Point
Formula C₅H₁₂OS₂
Boiling Point 278.4 °C at 760 mmHg
Molecular Weight 152.282
Flash Point 135.8 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Bis(methylthio)-2-propanol;NSC 240695;1,3-bis(methylsulfanyl)propan-2-ol;
PSA 70.83000
LogP 1.07330

2-Propanol,1,3-bis(methylthio)- Specification

The 2-Propanol,1,3-bis(methylthio)-, with the CAS registry number 31805-83-1 and EINECS registry number 250-814-7, has the systematic name of 1,3-bis(methylsulfanyl)propan-2-ol. And the molecular formula of this chemical is C₅H₁₂OS₂. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The physical properties of 2-Propanol,1,3-bis(methylthio)- are as following: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.08; (6)ACD/BCF (pH 7.4): 4.08; (7)ACD/KOC (pH 5.5): 95.21; (8)ACD/KOC (pH 7.4): 95.21; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.83 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 42.7 cm³; (15)Molar Volume: 136.8 cm³; (16)Polarizability: 16.92×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.112 g/cm³; (19)Flash Point: 135.8 °C; (20)Enthalpy of Vaporization: 60.01 kJ/mol; (21)Boiling Point: 278.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000523 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(C)CC(O)CSC
(2)InChI: InChI=1/C5H12OS2/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
(3)InChIKey: BTQNSLFPJKRBQK-UHFFFAOYAK

Product Name

1,3-BIS(METHYLTHIO)-2-PROPANOL

2-Propanol,1,3-bis(methylthio)- Specification

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