4-(Thian-4-yl)thiane
TL;DR: 4-(Thian-4-yl)thiane (CAS 116196-83-9) is a chemical compound with molecular formula C10H18S2 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(thian-4-yl)thiane
Also Known As: 4-(thian-4-yl)thiane, 4,4'-Bis(tetrahydrothiopyran), 4,4'-bis(tetrahydrothiopyranyl), 4,4'-bis(tetrahydro-2H-thiopyran), AE-641/00355012
| Molecular Formula | C10H18S2 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.08499 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 116196-83-9 |
|---|---|
| SMILES | C1CSCCC1C2CCSCC2 |
| InChIKey | VBVJSLQCUDKDQS-UHFFFAOYSA-N |
Product Overview
4-(Thian-4-yl)thiane (CAS 116196-83-9), with molecular formula C10H18S2 and molecular weight 202.08 g/mol. IUPAC: 4-(thian-4-yl)thiane.
Chemical Property Profile of 4-(Thian-4-yl)thiane
Property Insights of 4-(Thian-4-yl)thiane
The XLogP value of 3.0 indicates that 4-(Thian-4-yl)thiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 4-(Thian-4-yl)thiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Thian-4-yl)thiane has 0 hydrogen bond donor(s) and 2 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 4-(Thian-4-yl)thiane?
The CAS number of 4-(Thian-4-yl)thiane is 116196-83-9.
What is the molecular formula of 4-(Thian-4-yl)thiane?
The molecular formula of 4-(Thian-4-yl)thiane is C10H18S2.
What is the molecular weight of 4-(Thian-4-yl)thiane?
The molecular weight of 4-(Thian-4-yl)thiane is 202.08 g/mol.
Where can I buy 4-(Thian-4-yl)thiane?
You can request a quote for 4-(Thian-4-yl)thiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Thian-4-yl)thiane?
Yes, KEHONG BIO provides custom synthesis services for 4-(Thian-4-yl)thiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.