4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole
TL;DR: 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole (CAS 13251-19-9) is a chemical compound with molecular formula C10H7N3S2 and molecular weight 233.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile
Also Known As: ChemDiv2_001671, 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile, 4-Amino-3-phenyl-2-thioxo-2,3-dihydrothiazole-5-carbonitrile, BAS 01109680, 4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
| Molecular Formula | C10H7N3S2 |
|---|---|
| Molecular Weight | 233.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.00813 |
| Heavy Atoms | 15 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 13251-19-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(SC2=S)C#N)N |
| InChIKey | SSNKVURLRWLXES-UHFFFAOYSA-N |
Product Overview
4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole (CAS 13251-19-9), with molecular formula C10H7N3S2 and molecular weight 233.01 g/mol. IUPAC: 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole
Property Insights of 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole. Following Lipinski's Rule of Five, 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole 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 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole?
The CAS number of 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole is 13251-19-9.
What is the molecular formula of 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole?
The molecular formula of 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole is C10H7N3S2.
What is the molecular weight of 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole?
The molecular weight of 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole is 233.01 g/mol.
Where can I buy 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole?
You can request a quote for 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.