2-Mercaptothiazole
TL;DR: 2-Mercaptothiazole (CAS 161158-59-4) is a chemical compound with molecular formula C3H3NS2 and molecular weight 116.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,3-thiazole-2-thione
Also Known As: 2-Mercaptothiazole, 2-Thiazolethiol, 2(3H)-Thiazolethione, thiazole-2-thiol, thiazole-2(3h)-thione
| Molecular Formula | C3H3NS2 |
|---|---|
| Molecular Weight | 116.97 g/mol |
| LogP | 1.80569 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.97069 |
| Heavy Atoms | 6 |
| Complexity | 146.55606 |
Chemical Identifiers
| CAS Number | 161158-59-4 |
|---|---|
| SMILES | C1=CSC(=S)N1 |
Product Overview
2-Mercaptothiazole (CAS 161158-59-4), with molecular formula C3H3NS2 and molecular weight 116.97 g/mol. IUPAC: 3H-1,3-thiazole-2-thione.
Chemical Property Profile of 2-Mercaptothiazole
Property Insights of 2-Mercaptothiazole
The XLogP value of 1.80569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptothiazole. With a topological polar surface area (TPSA) of 15.79 Ų, 2-Mercaptothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptothiazole 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-Mercaptothiazole?
The CAS number of 2-Mercaptothiazole is 161158-59-4.
What is the molecular formula of 2-Mercaptothiazole?
The molecular formula of 2-Mercaptothiazole is C3H3NS2.
What is the molecular weight of 2-Mercaptothiazole?
The molecular weight of 2-Mercaptothiazole is 116.97 g/mol.
Where can I buy 2-Mercaptothiazole?
You can request a quote for 2-Mercaptothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.