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13730-36-4

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Basic Information
CAS No.: 13730-36-4
Name: dipentyltrisulfane
Article Data: 1
Molecular Structure:
Molecular Structure of 13730-36-4 (dipentyltrisulfane)
Formula: C10H22S3
Molecular Weight: 238.483
Synonyms: Pentyltrisulfide (6CI,7CI,8CI);Diamyl trisulfide;Dipentyl trisulfide;NSC 306488;
Density: 1.012 g/cm3
Boiling Point: 324.5 °C at 760 mmHg
Flash Point: 142.1 °C
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Specification

The CAS register number of Trisulfide, dipentyl is 13730-36-4. It also can be called as Diamyl trisulfide and the IUPAC name about this chemical is 1-(pentyltrisulfanyl)pentane. The molecular formula about this chemical is C10H22S3 and the molecular weight is 238.46468.

Physical properties about Trisulfide, dipentyl are: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 75.9 Å2; (5)Index of Refraction: 1.526; (6)Molar Refractivity: 72.36 cm3; (7)Molar Volume: 235.5 cm3; (8)Polarizability: 28.68x10-24cm3; (9)Surface Tension: 37.2 dyne/cm; (10)Density: 1.012 g/cm3; (11)Flash Point: 142.1 °C; (12)Enthalpy of Vaporization: 54.4 kJ/mol; (13)Boiling Point: 324.5 °C at 760 mmHg; (14)Vapour Pressure: 0.000463 mmHg at 25 °C; (15)Heavy Atom Count: 13; (16)Complexity: 76.2; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Hydrophobe Count: 2; (19)Effective Rotor Count: 10; (20)Conformer Sampling RMSD: 1; (21)CID Conformer Count: 182.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SSCCCCC)CCCCC
(2)InChI: InChI=1/C10H22S3/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-10H2,1-2H3
(3)InChIKey: WYFBNKJWRKAKJY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H22S3/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-10H2,1-2H3
(5)Std. InChIKey: WYFBNKJWRKAKJY-UHFFFAOYSA-N