![Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- structure](/static/products/3408/340816-58-2.webp)
Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-
TL;DR: Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- (CAS 340816-58-2) is a chemical compound with molecular formula C12H20N4S3 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[2-(dimethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-, 3,5-bis(2-dimethylaminoethylsulfanyl)-1,2-thiazole-4-carbonitrile, 3,5-Bis([2-(dimethylamino)ethyl]sulfanyl)-4-isothiazolecarbonitrile #, 3,5-bis{[2-(dimethylamino)ethyl]sulfanyl}-1,2-thiazole-4-carbonitrile, 4-aIsothiazolecarbonitraile, 3,a5-abis[[2-a(dimethylamino)aethyl]athio]a-
| Molecular Formula | C12H20N4S3 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.08502 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 340816-58-2 |
|---|---|
| SMILES | CN(C)CCSC1=C(C(=NS1)SCCN(C)C)C#N |
| InChIKey | SFGRINIHLJLRRQ-UHFFFAOYSA-N |
Product Overview
Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- (CAS 340816-58-2), with molecular formula C12H20N4S3 and molecular weight 316.09 g/mol. IUPAC: 3,5-bis[2-(dimethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-
Property Insights of Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-. Following Lipinski's Rule of Five, Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- has 0 hydrogen bond donor(s) and 7 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 Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-?
The CAS number of Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- is 340816-58-2.
What is the molecular formula of Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-?
The molecular formula of Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- is C12H20N4S3.
What is the molecular weight of Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-?
The molecular weight of Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- is 316.09 g/mol.
Where can I buy Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-?
You can request a quote for Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]-?
Yes, KEHONG BIO provides custom synthesis services for Isothiazole-4-carbonitrile, 3,5-bis[(2-dimemhylamino)ethylthio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.