2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-
TL;DR: 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- (CAS 768-30-9) is a chemical compound with molecular formula C9H18S and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylthiane
Also Known As: 4-tert-butylthiane, 4-tert-butyl-thiane, 4-t-butylthiacyclohexane, 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-, 4-tert-Butyltetrahydro-2H-thiopyran
| Molecular Formula | C9H18S |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.11292 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 768-30-9 |
|---|---|
| SMILES | CC(C)(C)C1CCSCC1 |
| InChIKey | XOPHRBMUUMFZOU-UHFFFAOYSA-N |
Product Overview
2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- (CAS 768-30-9), with molecular formula C9H18S and molecular weight 158.11 g/mol. IUPAC: 4-tert-butylthiane.
Chemical Property Profile of 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-
Property Insights of 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-
The XLogP value of 3.3 indicates that 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- 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, 4-(1,1-dimethylethyl)tetrahydro-?
The CAS number of 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- is 768-30-9.
What is the molecular formula of 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-?
The molecular formula of 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- is C9H18S.
What is the molecular weight of 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-?
The molecular weight of 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- is 158.11 g/mol.
Where can I buy 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-?
You can request a quote for 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.