Product Name

  • Name

    2,4,6-trithiaheptane

  • EINECS
  • CAS No. 6540-86-9
  • Article Data2
  • CAS DataBase
  • Density 1.13 g/cm3
  • Solubility
  • Melting Point
  • Formula C4H10S3
  • Boiling Point 227.7 °C at 760 mmHg
  • Molecular Weight 154.321
  • Flash Point 92.9 °C
  • Transport Information
  • Appearance Clear, almost colourless liquid; Cooked brown roasted aroma
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6540-86-9 (2,4,6-trithiaheptane)
  • Hazard Symbols
  • Synonyms 2,4,6-Trithiaheptane;
  • PSA 75.90000
  • LogP 2.36060

2,4,6-trithiaheptane Specification

The 2,4,6-trithiaheptane, with the CAS registry number of 6540-86-9, is also known as 2,4,6-Trithiaheptane. Its molecular formula is C4H10S3 and molecular weight is 154.32. What's more, its systematic name is Sulfanediylbis[(methylsulfanyl)methane].

Physical properties about the 2,4,6-trithiaheptane are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.41; (6)ACD/BCF (pH 7.4): 32.41; (7)ACD/KOC (pH 5.5): 419.71; (8)ACD/KOC (pH 7.4): 419.71; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.9 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 44.57 cm3; (15)Molar Volume: 136.4 cm3; (16)Surface Tension: 40 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 92.9 °C; (19)Enthalpy of Vaporization: 44.54 kJ/mol; (20)Boiling Point: 227.7 °C at 760 mmHg; (21)Vapour Pressure: 0.115 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CSCSCSC
(2) InChI: InChI=1/C4H10S3/c1-5-3-7-4-6-2/h3-4H2,1-2H3
(3) InChIKey: PQFOEUXAUYRCAY-UHFFFAOYAP

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