S-Isopropyl o-methyl thiocarbonate
TL;DR: S-Isopropyl o-methyl thiocarbonate (CAS 38103-97-8) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl propan-2-ylsulfanylformate
Also Known As: S-Isopropyl o-methyl thiocarbonate, methyl isopropylsulfanylformate, methyl propan-2-ylsulfanylformate, (CH3)2CHSC(O)OCH3, S-Isopropyl o-methyl thiocarbonate #
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 38103-97-8 |
|---|---|
| SMILES | CC(C)SC(=O)OC |
| InChIKey | YOVKKNWZGJZOHJ-UHFFFAOYSA-N |
Product Overview
S-Isopropyl o-methyl thiocarbonate (CAS 38103-97-8), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: methyl propan-2-ylsulfanylformate.
Chemical Property Profile of S-Isopropyl o-methyl thiocarbonate
Property Insights of S-Isopropyl o-methyl thiocarbonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Isopropyl o-methyl thiocarbonate. With a topological polar surface area (TPSA) of 51.6 Ų, S-Isopropyl o-methyl thiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Isopropyl o-methyl thiocarbonate 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 S-Isopropyl o-methyl thiocarbonate?
The CAS number of S-Isopropyl o-methyl thiocarbonate is 38103-97-8.
What is the molecular formula of S-Isopropyl o-methyl thiocarbonate?
The molecular formula of S-Isopropyl o-methyl thiocarbonate is C5H10O2S.
What is the molecular weight of S-Isopropyl o-methyl thiocarbonate?
The molecular weight of S-Isopropyl o-methyl thiocarbonate is 134.04 g/mol.
Where can I buy S-Isopropyl o-methyl thiocarbonate?
You can request a quote for S-Isopropyl o-methyl thiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Isopropyl o-methyl thiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-Isopropyl o-methyl thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.