2,4-Dimethylthietan-3-ol
TL;DR: 2,4-Dimethylthietan-3-ol (CAS 72771-01-8) is a chemical compound with molecular formula C5H10OS and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylthietan-3-ol
Also Known As: 2,4-dimethylthietan-3-ol, 2,4-Anhydro-1,5-dideoxy-2-thiopentitol, RefChem:246650
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 72771-01-8 |
|---|---|
| SMILES | CC1C(C(S1)C)O |
| InChIKey | NNEYBVYPLQVNEN-UHFFFAOYSA-N |
Product Overview
2,4-Dimethylthietan-3-ol (CAS 72771-01-8), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: 2,4-dimethylthietan-3-ol.
Chemical Property Profile of 2,4-Dimethylthietan-3-ol
Property Insights of 2,4-Dimethylthietan-3-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylthietan-3-ol. With a topological polar surface area (TPSA) of 45.5 Ų, 2,4-Dimethylthietan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylthietan-3-ol has 1 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 2,4-Dimethylthietan-3-ol?
The CAS number of 2,4-Dimethylthietan-3-ol is 72771-01-8.
What is the molecular formula of 2,4-Dimethylthietan-3-ol?
The molecular formula of 2,4-Dimethylthietan-3-ol is C5H10OS.
What is the molecular weight of 2,4-Dimethylthietan-3-ol?
The molecular weight of 2,4-Dimethylthietan-3-ol is 118.05 g/mol.
Where can I buy 2,4-Dimethylthietan-3-ol?
You can request a quote for 2,4-Dimethylthietan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylthietan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylthietan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.