S-(Propan-2-yl) methanethioate
TL;DR: S-(Propan-2-yl) methanethioate (CAS 22909-62-2) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propan-2-yl methanethioate
Also Known As: S-propan-2-yl methanethioate, Thioformic acid S-isopropyl ester, S-(Propan-2-yl) methanethioate, (propan-2-ylsulfanyl)carbaldehyde
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 22909-62-2 |
|---|---|
| SMILES | CC(C)SC=O |
| InChIKey | PFMQEELJUULOTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(Propan-2-yl) methanethioate (CAS 22909-62-2), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: S-propan-2-yl methanethioate.
Chemical Property Profile of S-(Propan-2-yl) methanethioate
Property Insights of S-(Propan-2-yl) methanethioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(Propan-2-yl) methanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-(Propan-2-yl) methanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(Propan-2-yl) methanethioate 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 S-(Propan-2-yl) methanethioate?
The CAS number of S-(Propan-2-yl) methanethioate is 22909-62-2.
What is the molecular formula of S-(Propan-2-yl) methanethioate?
The molecular formula of S-(Propan-2-yl) methanethioate is C4H8OS.
What is the molecular weight of S-(Propan-2-yl) methanethioate?
The molecular weight of S-(Propan-2-yl) methanethioate is 104.03 g/mol.
Where can I buy S-(Propan-2-yl) methanethioate?
You can request a quote for S-(Propan-2-yl) methanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(Propan-2-yl) methanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(Propan-2-yl) methanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.