(2-Methyloxetan-2-yl)methanethiol
TL;DR: (2-Methyloxetan-2-yl)methanethiol (CAS 63991-91-3) 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-methyloxetan-2-yl)methanethiol
Also Known As: (2-methyloxetan-2-yl)methanethiol, USAF PD-13, KST-1A7160, 3-(MERCAPTOMETHYL)-3-METHYLOXETANE, 3-o-tolylsulfanyl-propane-1,2-diol
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 10.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 63991-91-3 |
|---|---|
| SMILES | CC1(CCO1)CS |
| InChIKey | XVPNECYYAUYMRB-UHFFFAOYSA-N |
Product Overview
(2-Methyloxetan-2-yl)methanethiol (CAS 63991-91-3), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: (2-methyloxetan-2-yl)methanethiol.
Chemical Property Profile of (2-Methyloxetan-2-yl)methanethiol
Property Insights of (2-Methyloxetan-2-yl)methanethiol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyloxetan-2-yl)methanethiol. With a topological polar surface area (TPSA) of 10.2 Ų, (2-Methyloxetan-2-yl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyloxetan-2-yl)methanethiol 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-Methyloxetan-2-yl)methanethiol?
The CAS number of (2-Methyloxetan-2-yl)methanethiol is 63991-91-3.
What is the molecular formula of (2-Methyloxetan-2-yl)methanethiol?
The molecular formula of (2-Methyloxetan-2-yl)methanethiol is C5H10OS.
What is the molecular weight of (2-Methyloxetan-2-yl)methanethiol?
The molecular weight of (2-Methyloxetan-2-yl)methanethiol is 118.05 g/mol.
Where can I buy (2-Methyloxetan-2-yl)methanethiol?
You can request a quote for (2-Methyloxetan-2-yl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyloxetan-2-yl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyloxetan-2-yl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.