2-Butanethione
TL;DR: 2-Butanethione (CAS 4435-44-3) is a chemical compound with molecular formula C4H8S and molecular weight 88.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-2-thione
Also Known As: butane-2-thione, 2-Butanethione, methylthioacetone, methyl ethyl thioketone, J1.447.476E
| Molecular Formula | C4H8S |
|---|---|
| Molecular Weight | 88.03 g/mol |
| LogP | 1.7862 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.03467 |
| Heavy Atoms | 5 |
| Complexity | 38.91261 |
Chemical Identifiers
| CAS Number | 4435-44-3 |
|---|---|
| SMILES | CCC(=S)C |
Product Overview
2-Butanethione (CAS 4435-44-3), with molecular formula C4H8S and molecular weight 88.03 g/mol. IUPAC: butane-2-thione.
Chemical Property Profile of 2-Butanethione
Property Insights of 2-Butanethione
The XLogP value of 1.7862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanethione. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Butanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanethione 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 2-Butanethione?
The CAS number of 2-Butanethione is 4435-44-3.
What is the molecular formula of 2-Butanethione?
The molecular formula of 2-Butanethione is C4H8S.
What is the molecular weight of 2-Butanethione?
The molecular weight of 2-Butanethione is 88.03 g/mol.
Where can I buy 2-Butanethione?
You can request a quote for 2-Butanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanethione?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.