![4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] structure](/static/products/6572/6572-55-0.webp)
4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]
TL;DR: 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] (CAS 6572-55-0) is a chemical compound with molecular formula C17H25N2S2+ and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]
Also Known As: 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane], 4-(Ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[[1]benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane], 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]
| Molecular Formula | C17H25N2S2+ |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 3.2931 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.1459 |
| Heavy Atoms | 21 |
| Complexity | 567.5904 |
Chemical Identifiers
| CAS Number | 6572-55-0 |
|---|---|
| SMILES | CCSC1=[NH+]C2(CCCCC2)NC3=C1C4=C(S3)CCCC4 |
Product Overview
4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] (CAS 6572-55-0), with molecular formula C17H25N2S2+ and molecular weight 321.15 g/mol. IUPAC: 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane].
Chemical Property Profile of 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]
Property Insights of 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]
The XLogP value of 3.2931 indicates that 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] has 2 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 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]?
The CAS number of 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] is 6572-55-0.
What is the molecular formula of 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]?
The molecular formula of 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] is C17H25N2S2+.
What is the molecular weight of 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]?
The molecular weight of 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] is 321.15 g/mol.
Where can I buy 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]?
You can request a quote for 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane]?
Yes, KEHONG BIO provides custom synthesis services for 4-(ethylsulfanyl)-5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidin-3-ium-2,1'-cyclohexane] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.