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| CAS No.: | 25276-70-4 |
|---|---|
| Name: | N-PENTADECYL MERCAPTAN |
| Molecular Structure: | |
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| 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