![1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol structure](/static/products/3464/346458-41-1.webp)
1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
TL;DR: 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol (CAS 346458-41-1) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-thione
Also Known As: 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol, 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'(3'H)-thione, spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-thione, 4-spiro[1,3-dihydroquinazoline-2,1''-cyclopentane]thione, spiro[1,3-dihydroquinazoline-2,1''-cyclopentane]-4-thione
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 346458-41-1 |
|---|---|
| SMILES | C1CCC2(C1)NC3=CC=CC=C3C(=S)N2 |
| InChIKey | CVKBGNGVPMPNQU-UHFFFAOYSA-N |
Product Overview
1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol (CAS 346458-41-1), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-thione.
Chemical Property Profile of 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
Property Insights of 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol. With a topological polar surface area (TPSA) of 56.2 Ų, 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol has 2 hydrogen bond donor(s) and 2 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'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol?
The CAS number of 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol is 346458-41-1.
What is the molecular formula of 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol?
The molecular formula of 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol is C12H14N2S.
What is the molecular weight of 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol?
The molecular weight of 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol is 218.09 g/mol.
Where can I buy 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol?
You can request a quote for 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.