![5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile structure](/static/products/3387/338778-69-1.webp)
5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile
TL;DR: 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 338778-69-1) is a chemical compound with molecular formula C10H9N3S3 and molecular weight 267.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile, 5-Methyl-3-(((2-methyl-1,3-thiazol-4-yl)methyl)sulfanyl)-4-isothiazolecarbonitrile, 5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile, 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile, 5-methyl-3-[(2-methylthiazol-4-yl)methylsulfanyl]isothiazole-4-carbonitrile
| Molecular Formula | C10H9N3S3 |
|---|---|
| Molecular Weight | 267.00 g/mol |
| LogP | 3.38042 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.99585 |
| Heavy Atoms | 16 |
| Complexity | 535.74194 |
Chemical Identifiers
| CAS Number | 338778-69-1 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC2=CSC(=N2)C)C#N |
Product Overview
5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 338778-69-1), with molecular formula C10H9N3S3 and molecular weight 267.00 g/mol. IUPAC: 5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile
Property Insights of 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile
The XLogP value of 3.38042 indicates that 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile has 0 hydrogen bond donor(s) and 6 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 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
The CAS number of 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is 338778-69-1.
What is the molecular formula of 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular formula of 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is C10H9N3S3.
What is the molecular weight of 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular weight of 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is 267.00 g/mol.
Where can I buy 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
You can request a quote for 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.