2H-Thiopyran,3,4-dihydro-4,4-dimethyl-
TL;DR: 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- (CAS 53520-28-8) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2,3-dihydrothiopyran
Also Known As: 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-, 4,4-dimethyl-2,3-dihydrothiopyran, 4,4-dimethyl-3,4-dihydro-2H-thiopyran, J1.074.286B
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 53520-28-8 |
|---|---|
| SMILES | CC1(CCSC=C1)C |
| InChIKey | NWXHIGBIQIBWGJ-UHFFFAOYSA-N |
Product Overview
2H-Thiopyran,3,4-dihydro-4,4-dimethyl- (CAS 53520-28-8), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 4,4-dimethyl-2,3-dihydrothiopyran.
Chemical Property Profile of 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-
Property Insights of 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-. With a topological polar surface area (TPSA) of 25.3 Ų, 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- 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 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-?
The CAS number of 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- is 53520-28-8.
What is the molecular formula of 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-?
The molecular formula of 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- is C7H12S.
What is the molecular weight of 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-?
The molecular weight of 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- is 128.07 g/mol.
Where can I buy 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-?
You can request a quote for 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Thiopyran,3,4-dihydro-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Thiopyran,3,4-dihydro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.