Thiacyclohexane, 4-difluoromethylene
TL;DR: Thiacyclohexane, 4-difluoromethylene (CAS 77471-71-7) is a chemical compound with molecular formula C6H8F2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(difluoromethylidene)thiane
Also Known As: Thiacyclohexane, 4-difluoromethylene, 4-(difluoromethylidene)thiane, 4-difluoromethylene thia-cyclohexane
| Molecular Formula | C6H8F2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.03148 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 77471-71-7 |
|---|---|
| SMILES | C1CSCCC1=C(F)F |
| InChIKey | OGXWQSPYMJLQLF-UHFFFAOYSA-N |
Product Overview
Thiacyclohexane, 4-difluoromethylene (CAS 77471-71-7), with molecular formula C6H8F2S and molecular weight 150.03 g/mol. IUPAC: 4-(difluoromethylidene)thiane.
Chemical Property Profile of Thiacyclohexane, 4-difluoromethylene
Property Insights of Thiacyclohexane, 4-difluoromethylene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiacyclohexane, 4-difluoromethylene. With a topological polar surface area (TPSA) of 25.3 Ų, Thiacyclohexane, 4-difluoromethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiacyclohexane, 4-difluoromethylene has 0 hydrogen bond donor(s) and 3 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 Thiacyclohexane, 4-difluoromethylene?
The CAS number of Thiacyclohexane, 4-difluoromethylene is 77471-71-7.
What is the molecular formula of Thiacyclohexane, 4-difluoromethylene?
The molecular formula of Thiacyclohexane, 4-difluoromethylene is C6H8F2S.
What is the molecular weight of Thiacyclohexane, 4-difluoromethylene?
The molecular weight of Thiacyclohexane, 4-difluoromethylene is 150.03 g/mol.
Where can I buy Thiacyclohexane, 4-difluoromethylene?
You can request a quote for Thiacyclohexane, 4-difluoromethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiacyclohexane, 4-difluoromethylene?
Yes, KEHONG BIO provides custom synthesis services for Thiacyclohexane, 4-difluoromethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.