Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-
TL;DR: Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- (CAS 61097-65-2) 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.
2,2-dimethyl-3-propan-2-ylidenethiirane
Also Known As: Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-, 2,2-dimethyl-3-propan-2-ylidenethiirane, 2,4-Dimethyl-3,4-epithio-2-pentene, J1.893.841C, 2,2-DIMETHYL-3-(PROPAN-2-YLIDENE)THIIRANE
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.4 |
| 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 | 138.0 |
Chemical Identifiers
| CAS Number | 61097-65-2 |
|---|---|
| SMILES | CC(=C1C(S1)(C)C)C |
| InChIKey | OAWQUMLVQMDUML-UHFFFAOYSA-N |
Product Overview
Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- (CAS 61097-65-2), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 2,2-dimethyl-3-propan-2-ylidenethiirane.
Chemical Property Profile of Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-
Property Insights of Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-. With a topological polar surface area (TPSA) of 25.3 Ų, Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- 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 Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-?
The CAS number of Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- is 61097-65-2.
What is the molecular formula of Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-?
The molecular formula of Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- is C7H12S.
What is the molecular weight of Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-?
The molecular weight of Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- is 128.07 g/mol.
Where can I buy Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-?
You can request a quote for Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiirane, 2,2-dimethyl-3-(1-methylethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Thiirane, 2,2-dimethyl-3-(1-methylethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.