2(3H)-Thiazolethione, 4-methyl-5-nitro-
TL;DR: 2(3H)-Thiazolethione, 4-methyl-5-nitro- (CAS 13416-33-6) is a chemical compound with molecular formula C4H4N2O2S2 and molecular weight 175.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-nitro-3H-1,3-thiazole-2-thione
Also Known As: 2-Thiazolethiol, 4-methyl-5-nitro-, 2(3H)-Thiazolethione, 4-methyl-5-nitro-, 4-methyl-5-nitro-3H-1,3-thiazole-2-thione, 4-Methyl-5-nitrothiazole-2(3H)-thione, 2-Thiazolethiol,4-methyl-5-nitro
| Molecular Formula | C4H4N2O2S2 |
|---|---|
| Molecular Weight | 175.97 g/mol |
| LogP | 2.02231 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.97142 |
| Heavy Atoms | 10 |
| Complexity | 313.30264 |
Chemical Identifiers
| CAS Number | 13416-33-6 |
|---|---|
| SMILES | CC1=C(SC(=S)N1)[N+](=O)[O-] |
Product Overview
2(3H)-Thiazolethione, 4-methyl-5-nitro- (CAS 13416-33-6), with molecular formula C4H4N2O2S2 and molecular weight 175.97 g/mol. IUPAC: 4-methyl-5-nitro-3H-1,3-thiazole-2-thione.
Chemical Property Profile of 2(3H)-Thiazolethione, 4-methyl-5-nitro-
Property Insights of 2(3H)-Thiazolethione, 4-methyl-5-nitro-
The XLogP value of 2.02231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Thiazolethione, 4-methyl-5-nitro-. With a topological polar surface area (TPSA) of 58.93 Ų, 2(3H)-Thiazolethione, 4-methyl-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Thiazolethione, 4-methyl-5-nitro- has 1 hydrogen bond donor(s) and 4 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(3H)-Thiazolethione, 4-methyl-5-nitro-?
The CAS number of 2(3H)-Thiazolethione, 4-methyl-5-nitro- is 13416-33-6.
What is the molecular formula of 2(3H)-Thiazolethione, 4-methyl-5-nitro-?
The molecular formula of 2(3H)-Thiazolethione, 4-methyl-5-nitro- is C4H4N2O2S2.
What is the molecular weight of 2(3H)-Thiazolethione, 4-methyl-5-nitro-?
The molecular weight of 2(3H)-Thiazolethione, 4-methyl-5-nitro- is 175.97 g/mol.
Where can I buy 2(3H)-Thiazolethione, 4-methyl-5-nitro-?
You can request a quote for 2(3H)-Thiazolethione, 4-methyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Thiazolethione, 4-methyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Thiazolethione, 4-methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.