1-十二烷硫醇
TL;DR: 1-十二烷硫醇 (CAS 112-55-0) is a chemical compound with molecular formula C12H26S and molecular weight 202.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-十二烷硫醇
dodecane-1-thiol
Also Known As: 1-DODECANETHIOL, Dodecane-1-thiol, Dodecyl mercaptan, Dodecanethiol, Lauryl mercaptan
| Molecular Formula | C12H26S |
|---|---|
| Molecular Weight | 202.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 202.17552 |
| Heavy Atoms | 13 |
| Complexity | 81.0 |
| Melting Point | -7.2 °C |
| Boiling Point | 511 to 282.8 °C at 760 mmHg |
| Density | 0.85 at 15.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 87.8 °C |
| Vapor Pressure | less than 1 mmHg (estimated) |
| Refractive Index | 1.4589 at 20 °C |
Chemical Identifiers
| CAS Number | 112-55-0 |
|---|---|
| SMILES | CCCCCCCCCCCCS |
| InChIKey | WNAHIZMDSQCWRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-十二烷硫醇 (CAS 112-55-0), with molecular formula C12H26S and molecular weight 202.18 g/mol. IUPAC: dodecane-1-thiol.
Chemical Property Profile of 1-十二烷硫醇
Property Insights of 1-十二烷硫醇
The XLogP value of 6.1 indicates that 1-十二烷硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 1-十二烷硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-十二烷硫醇 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-十二烷硫醇?
The CAS number of 1-十二烷硫醇 is 112-55-0.
What is the molecular formula of 1-十二烷硫醇?
The molecular formula of 1-十二烷硫醇 is C12H26S.
What is the molecular weight of 1-十二烷硫醇?
The molecular weight of 1-十二烷硫醇 is 202.18 g/mol.
Where can I buy 1-十二烷硫醇?
You can request a quote for 1-十二烷硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-十二烷硫醇?
Yes, KEHONG BIO provides custom synthesis services for 1-十二烷硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.