![S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate structure](/static/products/5805/58058-58-5.webp)
S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate
TL;DR: S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate (CAS 58058-58-5) is a chemical compound with molecular formula C15H20O2S and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate
Also Known As: S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate, S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carboth, [1-(hydroxy-phenyl-methyl)cyclopropyl]-tert-butylsulfanyl-methanone, 1-(Hydroxyphenylmethyl)cyclopropanecarbothioic acid, S-t-butyl ester, S-(tert-Butyl) 1-[hydroxy(phenyl)methyl]cyclopropanecarbothioate #
| Molecular Formula | C15H20O2S |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1184 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 58058-58-5 |
|---|---|
| SMILES | CC(C)(C)SC(=O)C1(CC1)C(C2=CC=CC=C2)O |
| InChIKey | XRIHBMLOMVKELR-UHFFFAOYSA-N |
Product Overview
S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate (CAS 58058-58-5), with molecular formula C15H20O2S and molecular weight 264.12 g/mol. IUPAC: S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate.
Chemical Property Profile of S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate
Property Insights of S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate. Following Lipinski's Rule of Five, S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate 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 S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate?
The CAS number of S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate is 58058-58-5.
What is the molecular formula of S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate?
The molecular formula of S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate is C15H20O2S.
What is the molecular weight of S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate?
The molecular weight of S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate is 264.12 g/mol.
Where can I buy S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate?
You can request a quote for S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.