![1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea structure](/static/products/327/327169-49-3.png)
1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea
TL;DR: 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea (CAS 327169-49-3) is a chemical compound with molecular formula C19H21N5S3 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea
Also Known As: 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea, N-benzyl-2-(2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazinecarbothioamide, N-benzyl-2-[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]hydrazinecarbothioamide
| Molecular Formula | C19H21N5S3 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.2832 |
| Topological Polar Surface Area | 61.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.09592 |
| Heavy Atoms | 27 |
| Complexity | 954.88354 |
Chemical Identifiers
| CAS Number | 327169-49-3 |
|---|---|
| SMILES | CSC1=NC(=C2C3=C(CCCC3)SC2=N1)NNC(=S)NCC4=CC=CC=C4 |
Product Overview
1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea (CAS 327169-49-3), with molecular formula C19H21N5S3 and molecular weight 415.10 g/mol. IUPAC: 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea.
Chemical Property Profile of 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea
Property Insights of 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea
The XLogP value of 4.2832 indicates that 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea. Following Lipinski's Rule of Five, 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea has 3 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 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea?
The CAS number of 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea is 327169-49-3.
What is the molecular formula of 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea?
The molecular formula of 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea is C19H21N5S3.
What is the molecular weight of 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea?
The molecular weight of 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea is 415.10 g/mol.
Where can I buy 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea?
You can request a quote for 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.