2-Dodecyltetrahydrothiophene
TL;DR: 2-Dodecyltetrahydrothiophene (CAS 78313-84-5) is a chemical compound with molecular formula C16H32S and molecular weight 256.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylthiolane
Also Known As: 2-dodecylthiolane, 2-N-Dodecyltetrahydrothiophene, 2-DO-Tth, 2-Dodecyltetrahydrothiophene, DTHT
| Molecular Formula | C16H32S |
|---|---|
| Molecular Weight | 256.22 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 256.22247 |
| Heavy Atoms | 17 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 78313-84-5 |
|---|---|
| SMILES | CCCCCCCCCCCCC1CCCS1 |
| InChIKey | OGNMSZFPUKYWMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Dodecyltetrahydrothiophene (CAS 78313-84-5), with molecular formula C16H32S and molecular weight 256.22 g/mol. IUPAC: 2-dodecylthiolane.
Chemical Property Profile of 2-Dodecyltetrahydrothiophene
Property Insights of 2-Dodecyltetrahydrothiophene
The XLogP value of 7.6 indicates that 2-Dodecyltetrahydrothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Dodecyltetrahydrothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dodecyltetrahydrothiophene has 0 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 2-Dodecyltetrahydrothiophene?
The CAS number of 2-Dodecyltetrahydrothiophene is 78313-84-5.
What is the molecular formula of 2-Dodecyltetrahydrothiophene?
The molecular formula of 2-Dodecyltetrahydrothiophene is C16H32S.
What is the molecular weight of 2-Dodecyltetrahydrothiophene?
The molecular weight of 2-Dodecyltetrahydrothiophene is 256.22 g/mol.
Where can I buy 2-Dodecyltetrahydrothiophene?
You can request a quote for 2-Dodecyltetrahydrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dodecyltetrahydrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Dodecyltetrahydrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.