2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine
TL;DR: 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine (CAS 78052-14-9) is a chemical compound with molecular formula C11H14N2S2 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine, 2-methylsulfanyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d], 2-(Methylsulfanyl)-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine, 2-(Methylthio)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine, 2-methylsulfanyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C11H14N2S2 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.05984 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 78052-14-9 |
|---|---|
| SMILES | CSC1=NCC2=C(N1)SC3=C2CCCC3 |
| InChIKey | HYOXSVMQRVRBSN-UHFFFAOYSA-N |
Product Overview
2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine (CAS 78052-14-9), with molecular formula C11H14N2S2 and molecular weight 238.06 g/mol. IUPAC: 2-methylsulfanyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine
Property Insights of 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine. Following Lipinski's Rule of Five, 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine has 1 hydrogen bond donor(s) and 3 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 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine?
The CAS number of 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine is 78052-14-9.
What is the molecular formula of 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine?
The molecular formula of 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine is C11H14N2S2.
What is the molecular weight of 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine?
The molecular weight of 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine is 238.06 g/mol.
Where can I buy 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine?
You can request a quote for 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.