4-Thiazoline-2-thiol
TL;DR: 4-Thiazoline-2-thiol (CAS 96-51-5) is a chemical compound with molecular formula C3H5NS2 and molecular weight 118.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,3-thiazole-4-thiol
Also Known As: 4-Thiazoline-2-thiol, 2,3-dihydro-1,3-thiazole-4-thiol, RefChem:296628
| Molecular Formula | C3H5NS2 |
|---|---|
| Molecular Weight | 118.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.98634 |
| Heavy Atoms | 6 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 96-51-5 |
|---|---|
| SMILES | C1NC(=CS1)S |
| InChIKey | ZYHDFWKHJXMUEH-UHFFFAOYSA-N |
Product Overview
4-Thiazoline-2-thiol (CAS 96-51-5), with molecular formula C3H5NS2 and molecular weight 118.99 g/mol. IUPAC: 2,3-dihydro-1,3-thiazole-4-thiol.
Chemical Property Profile of 4-Thiazoline-2-thiol
Property Insights of 4-Thiazoline-2-thiol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiazoline-2-thiol. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Thiazoline-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Thiazoline-2-thiol has 2 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 4-Thiazoline-2-thiol?
The CAS number of 4-Thiazoline-2-thiol is 96-51-5.
What is the molecular formula of 4-Thiazoline-2-thiol?
The molecular formula of 4-Thiazoline-2-thiol is C3H5NS2.
What is the molecular weight of 4-Thiazoline-2-thiol?
The molecular weight of 4-Thiazoline-2-thiol is 118.99 g/mol.
Where can I buy 4-Thiazoline-2-thiol?
You can request a quote for 4-Thiazoline-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazoline-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazoline-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.