![4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] structure](/static/products/4750/475041-34-0.webp)
4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]
TL;DR: 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] (CAS 475041-34-0) is a chemical compound with molecular formula C17H24N2S2 and molecular weight 320.14 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]pyrimidine-2,1'-cyclohexane]
Also Known As: 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane], Benzothieno[2,3-d]pyridine, 1,2,5,6,7,8-hexahydro-4-ethylthio-2-spirocyclohexane-, 4-(ethylsulfanyl)-1,2,5,6,7,8-hexahydrospiro([1]benzothieno[2,3-d]pyrimidine-2,1'-cyclohexane)
| Molecular Formula | C17H24N2S2 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.1381 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 475041-34-0 |
|---|---|
| SMILES | CCSC1=NC2(CCCCC2)NC3=C1C4=C(S3)CCCC4 |
| InChIKey | FKEGCKWJUZOQBJ-UHFFFAOYSA-N |
Product Overview
4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] (CAS 475041-34-0), with molecular formula C17H24N2S2 and molecular weight 320.14 g/mol. IUPAC: 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane].
Chemical Property Profile of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]
Property Insights of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]
The XLogP value of 5.3 indicates that 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]. Following Lipinski's Rule of Five, 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]?
The CAS number of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] is 475041-34-0.
What is the molecular formula of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]?
The molecular formula of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] is C17H24N2S2.
What is the molecular weight of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]?
The molecular weight of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] is 320.14 g/mol.
Where can I buy 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]?
You can request a quote for 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-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-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]?
Yes, KEHONG BIO provides custom synthesis services for 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.