5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione
TL;DR: 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione (CAS 76539-70-3) is a chemical compound with molecular formula C11H17NS2 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4-pyrrolidin-1-yl-3H-thiopyran-6-thione
Also Known As: 2,2-dimethyl-4-pyrrolidin-1-yl-3H-thiopyran-6-thione, 6,6-dimethyl-4-pyrrolidin-1-yl-5H-thiopyran-2-thione, 4-Pyrrolidino-6,6-dimethyl-5,6-dihydrothiopyran-2-thion, 5,6-dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione
| Molecular Formula | C11H17NS2 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 3.209 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.08025 |
| Heavy Atoms | 14 |
| Complexity | 275.01212 |
Chemical Identifiers
| CAS Number | 76539-70-3 |
|---|---|
| SMILES | CC1(CC(=CC(=S)S1)N2CCCC2)C |
Product Overview
5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione (CAS 76539-70-3), with molecular formula C11H17NS2 and molecular weight 227.08 g/mol. IUPAC: 2,2-dimethyl-4-pyrrolidin-1-yl-3H-thiopyran-6-thione.
Chemical Property Profile of 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione
Property Insights of 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione
The XLogP value of 3.209 indicates that 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione 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 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione?
The CAS number of 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione is 76539-70-3.
What is the molecular formula of 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione?
The molecular formula of 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione is C11H17NS2.
What is the molecular weight of 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione?
The molecular weight of 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione is 227.08 g/mol.
Where can I buy 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione?
You can request a quote for 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.