Butan-2-yl 2-sulfanylacetate
TL;DR: Butan-2-yl 2-sulfanylacetate (CAS 16849-96-0) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-sulfanylacetate
Also Known As: butan-2-yl 2-sulfanylacetate, Sec-butyl sulfanylacetate, Butan-2-yl sulfanylacetate, Sec-butyl sulfanylacetate #, 2-Mercaptoacetic acid sec-butyl ester
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 16849-96-0 |
|---|---|
| SMILES | CCC(C)OC(=O)CS |
| InChIKey | SHCXYFWPWOFPFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butan-2-yl 2-sulfanylacetate (CAS 16849-96-0), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: butan-2-yl 2-sulfanylacetate.
Chemical Property Profile of Butan-2-yl 2-sulfanylacetate
Property Insights of Butan-2-yl 2-sulfanylacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl 2-sulfanylacetate. With a topological polar surface area (TPSA) of 27.3 Ų, Butan-2-yl 2-sulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 2-sulfanylacetate has 1 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 Butan-2-yl 2-sulfanylacetate?
The CAS number of Butan-2-yl 2-sulfanylacetate is 16849-96-0.
What is the molecular formula of Butan-2-yl 2-sulfanylacetate?
The molecular formula of Butan-2-yl 2-sulfanylacetate is C6H12O2S.
What is the molecular weight of Butan-2-yl 2-sulfanylacetate?
The molecular weight of Butan-2-yl 2-sulfanylacetate is 148.06 g/mol.
Where can I buy Butan-2-yl 2-sulfanylacetate?
You can request a quote for Butan-2-yl 2-sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 2-sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 2-sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.