Heptane, 1,1'-thiobis-
TL;DR: Heptane, 1,1'-thiobis- (CAS 629-65-2) is a chemical compound with molecular formula C14H30S and molecular weight 230.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-heptylsulfanylheptane
Also Known As: Heptyl sulfide, Diheptyl sulfide, Heptane, 1,1'-thiobis-, Diheptyl sulphide, n-Heptyl sulfide
| Molecular Formula | C14H30S |
|---|---|
| Molecular Weight | 230.21 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 230.20682 |
| Heavy Atoms | 15 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 629-65-2 |
|---|---|
| SMILES | CCCCCCCSCCCCCCC |
| InChIKey | LEMIDOZYVQXGLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptane, 1,1'-thiobis- (CAS 629-65-2), with molecular formula C14H30S and molecular weight 230.21 g/mol. IUPAC: 1-heptylsulfanylheptane.
Chemical Property Profile of Heptane, 1,1'-thiobis-
Property Insights of Heptane, 1,1'-thiobis-
The XLogP value of 6.6 indicates that Heptane, 1,1'-thiobis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Heptane, 1,1'-thiobis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane, 1,1'-thiobis- 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 Heptane, 1,1'-thiobis-?
The CAS number of Heptane, 1,1'-thiobis- is 629-65-2.
What is the molecular formula of Heptane, 1,1'-thiobis-?
The molecular formula of Heptane, 1,1'-thiobis- is C14H30S.
What is the molecular weight of Heptane, 1,1'-thiobis-?
The molecular weight of Heptane, 1,1'-thiobis- is 230.21 g/mol.
Where can I buy Heptane, 1,1'-thiobis-?
You can request a quote for Heptane, 1,1'-thiobis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane, 1,1'-thiobis-?
Yes, KEHONG BIO provides custom synthesis services for Heptane, 1,1'-thiobis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.