Thiiranemethanethiol
TL;DR: Thiiranemethanethiol (CAS 4755-98-0) is a chemical compound with molecular formula C3H6S2 and molecular weight 105.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiiran-2-ylmethanethiol
Also Known As: Thiiranemethanethiol, Episulphide deriv., 2-Thiiranemethanethiol, (Mercaptomethyl)thiirane, thiiran-2-ylmethanethiol
| Molecular Formula | C3H6S2 |
|---|---|
| Molecular Weight | 105.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.99109 |
| Heavy Atoms | 5 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 4755-98-0 |
|---|---|
| SMILES | C1C(S1)CS |
| InChIKey | CVHLOUDPCBXUES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiiranemethanethiol (CAS 4755-98-0), with molecular formula C3H6S2 and molecular weight 105.99 g/mol. IUPAC: thiiran-2-ylmethanethiol.
Chemical Property Profile of Thiiranemethanethiol
Property Insights of Thiiranemethanethiol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiiranemethanethiol. With a topological polar surface area (TPSA) of 26.3 Ų, Thiiranemethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiiranemethanethiol 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 Thiiranemethanethiol?
The CAS number of Thiiranemethanethiol is 4755-98-0.
What is the molecular formula of Thiiranemethanethiol?
The molecular formula of Thiiranemethanethiol is C3H6S2.
What is the molecular weight of Thiiranemethanethiol?
The molecular weight of Thiiranemethanethiol is 105.99 g/mol.
Where can I buy Thiiranemethanethiol?
You can request a quote for Thiiranemethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiiranemethanethiol?
Yes, KEHONG BIO provides custom synthesis services for Thiiranemethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.