炔丙基硫醚
TL;DR: 炔丙基硫醚 (CAS 13702-09-5) is a chemical compound with molecular formula C6H6S and molecular weight 110.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
炔丙基硫醚
3-prop-2-ynylsulfanylprop-1-yne
Also Known As: Dipropargyl sulfide, propargyl sulfide, 1-Propyne, 3,3'-thiobis-, 3-prop-2-ynylsulfanylprop-1-yne, 4-thia-1,6-heptadiyne
| Molecular Formula | C6H6S |
|---|---|
| Molecular Weight | 110.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.01902 |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 13702-09-5 |
|---|---|
| SMILES | C#CCSCC#C |
| InChIKey | XPTMJJIPRSWBDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
炔丙基硫醚 (CAS 13702-09-5), with molecular formula C6H6S and molecular weight 110.02 g/mol. IUPAC: 3-prop-2-ynylsulfanylprop-1-yne.
Chemical Property Profile of 炔丙基硫醚
Property Insights of 炔丙基硫醚
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 炔丙基硫醚. With a topological polar surface area (TPSA) of 25.3 Ų, 炔丙基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔丙基硫醚 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 炔丙基硫醚?
The CAS number of 炔丙基硫醚 is 13702-09-5.
What is the molecular formula of 炔丙基硫醚?
The molecular formula of 炔丙基硫醚 is C6H6S.
What is the molecular weight of 炔丙基硫醚?
The molecular weight of 炔丙基硫醚 is 110.02 g/mol.
Where can I buy 炔丙基硫醚?
You can request a quote for 炔丙基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔丙基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 炔丙基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.