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25276-70-4

Basic Information
CAS No.: 25276-70-4
Name: N-PENTADECYL MERCAPTAN
Article Data: 1
Molecular Structure:
Molecular Structure of 25276-70-4 (N-PENTADECYL MERCAPTAN)
Formula: C15H32S
Molecular Weight: 244.485
Synonyms: Pentadecanethiol;Pentadecane-1-thiol;n-Pentadecyl Mercaptan;
EINECS: 246-785-5
Density: 0.842 g/cm3
Melting Point: 17.78°C
Boiling Point: 321.5 °C at 760 mmHg
Flash Point: 128.9 °C
PSA: 38.80000
LogP: 6.00740
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Specification

This chemical is called 1-Pentadecanethiol, and it can also be named as Pentadecane-1-thiol. With the molecular formula of C15H32S, its molecular weight is 244.4796. The CAS registry number of this chemical is 25276-70-4, and its product categories are Self Assembly & Contact Printing; Self-Assembly Materials; Thiols. Additionally, this chemical should be sealed in the closed container.

Other characteristics of the 1-Pentadecanethiol can be summarised as follows: (1)ACD/LogP: 8.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.16; (4)ACD/LogD (pH 7.4): 8.16; (5)ACD/BCF (pH 5.5): 929387.56; (6)ACD/BCF (pH 7.4): 928767.38; (7)ACD/KOC (pH 5.5): 651032.88; (8)ACD/KOC (pH 7.4): 650598.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 79.43 cm3; (15)Molar Volume: 290.1 cm3; (16)Polarizability: 31.49×10-24 cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.842 g/cm3; (19)Flash Point: 128.9 °C; (20)Enthalpy of Vaporization: 54.08 kJ/mol; (21)Boiling Point: 321.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000559 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: SCCCCCCCCCCCCCCC
2.InChI: InChI=1/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
3.InChIKey: IGMQODZGDORXEN-UHFFFAOYAZ