![4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide structure](/static/products/330/330180-08-0.png)
4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide
TL;DR: 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide (CAS 330180-08-0) is a chemical compound with molecular formula C18H16N4OS3 and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(benzenecarbonothioyl)-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carboxamide
Also Known As: 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide, 4-amino-N-(benzenecarbonothioyl)-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carboxamide, 4-imino-N-(phenylcarbonothioyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-3(4H)-carboxamide
| Molecular Formula | C18H16N4OS3 |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 4.22169 |
| Topological Polar Surface Area | 72.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.0486 |
| Heavy Atoms | 26 |
| Complexity | 1085.2495 |
Chemical Identifiers
| CAS Number | 330180-08-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N(C(=S)N=C3S2)C(=O)NC(=S)C4=CC=CC=C4)N |
Product Overview
4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide (CAS 330180-08-0), with molecular formula C18H16N4OS3 and molecular weight 400.05 g/mol. IUPAC: 4-amino-N-(benzenecarbonothioyl)-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carboxamide.
Chemical Property Profile of 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide
Property Insights of 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide
The XLogP value of 4.22169 indicates that 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide. Following Lipinski's Rule of Five, 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide has 2 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 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide?
The CAS number of 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide is 330180-08-0.
What is the molecular formula of 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide?
The molecular formula of 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide is C18H16N4OS3.
What is the molecular weight of 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide?
The molecular weight of 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide is 400.05 g/mol.
Where can I buy 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide?
You can request a quote for 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.