1,3-Dithian-2-ylmethanethiol
TL;DR: 1,3-Dithian-2-ylmethanethiol (CAS 6007-35-8) is a chemical compound with molecular formula C5H10S3 and molecular weight 165.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithian-2-ylmethanethiol
Also Known As: 1,3-dithian-2-ylmethanethiol, (1,3-Dithian-2-yl)methanethiol
| Molecular Formula | C5H10S3 |
|---|---|
| Molecular Weight | 165.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.99446 |
| Heavy Atoms | 8 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 6007-35-8 |
|---|---|
| SMILES | C1CSC(SC1)CS |
| InChIKey | DQFYDKGUFQLULR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dithian-2-ylmethanethiol (CAS 6007-35-8), with molecular formula C5H10S3 and molecular weight 165.99 g/mol. IUPAC: 1,3-dithian-2-ylmethanethiol.
Chemical Property Profile of 1,3-Dithian-2-ylmethanethiol
Property Insights of 1,3-Dithian-2-ylmethanethiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithian-2-ylmethanethiol. With a topological polar surface area (TPSA) of 51.6 Ų, 1,3-Dithian-2-ylmethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithian-2-ylmethanethiol 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 1,3-Dithian-2-ylmethanethiol?
The CAS number of 1,3-Dithian-2-ylmethanethiol is 6007-35-8.
What is the molecular formula of 1,3-Dithian-2-ylmethanethiol?
The molecular formula of 1,3-Dithian-2-ylmethanethiol is C5H10S3.
What is the molecular weight of 1,3-Dithian-2-ylmethanethiol?
The molecular weight of 1,3-Dithian-2-ylmethanethiol is 165.99 g/mol.
Where can I buy 1,3-Dithian-2-ylmethanethiol?
You can request a quote for 1,3-Dithian-2-ylmethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithian-2-ylmethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithian-2-ylmethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.