4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide
TL;DR: 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide (CAS 82013-39-6) 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.
4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbothioamide
Also Known As: 4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide, 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbothioamide, 4-amino-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carbothioamide, 4-Amino-3-phenyl-3-thioxo-Delta4-thiazolin-5-thiocarboxamid, 4-amino-5-(aminothioxomethyl)-3-phenyl-1,3-thiazoline-2-thione
| Molecular Formula | C10H9N3S3 |
|---|---|
| Molecular Weight | 267.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.99585 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 82013-39-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(SC2=S)C(=S)N)N |
| InChIKey | HNLOMFYTDBCPLD-UHFFFAOYSA-N |
Product Overview
4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide (CAS 82013-39-6), with molecular formula C10H9N3S3 and molecular weight 267.00 g/mol. IUPAC: 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbothioamide.
Chemical Property Profile of 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide
Property Insights of 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide. The TPSA of 145.0 Ų indicates high polarity, suggesting 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide has 2 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-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide?
The CAS number of 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide is 82013-39-6.
What is the molecular formula of 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide?
The molecular formula of 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide is C10H9N3S3.
What is the molecular weight of 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide?
The molecular weight of 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide is 267.00 g/mol.
Where can I buy 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide?
You can request a quote for 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.