Thiirene, dimethyl-
TL;DR: Thiirene, dimethyl- (CAS 65923-98-0) is a chemical compound with molecular formula C4H6S and molecular weight 86.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylthiirene
Also Known As: Thiirene, dimethyl-, dimethylthiirene, 2,3-dimethylthiirene, (CH3)2(cyc-CCS), RefChem:385077
| Molecular Formula | C4H6S |
|---|---|
| Molecular Weight | 86.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 86.01902 |
| Heavy Atoms | 5 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 65923-98-0 |
|---|---|
| SMILES | CC1=C(S1)C |
| InChIKey | KKXVALCSVHZKPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiirene, dimethyl- (CAS 65923-98-0), with molecular formula C4H6S and molecular weight 86.02 g/mol. IUPAC: 2,3-dimethylthiirene.
Chemical Property Profile of Thiirene, dimethyl-
Property Insights of Thiirene, dimethyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiirene, dimethyl-. With a topological polar surface area (TPSA) of 25.3 Ų, Thiirene, dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiirene, 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 Thiirene, dimethyl-?
The CAS number of Thiirene, dimethyl- is 65923-98-0.
What is the molecular formula of Thiirene, dimethyl-?
The molecular formula of Thiirene, dimethyl- is C4H6S.
What is the molecular weight of Thiirene, dimethyl-?
The molecular weight of Thiirene, dimethyl- is 86.02 g/mol.
Where can I buy Thiirene, dimethyl-?
You can request a quote for Thiirene, dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiirene, dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Thiirene, dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.