2-Furancarbothioic acid, S-(phenylmethyl) ester
TL;DR: 2-Furancarbothioic acid, S-(phenylmethyl) ester (CAS 17357-56-1) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl furan-2-carbothioate
Also Known As: S-benzyl furan-2-carbothioate, Benzylsulfanyl-(2-furyl)methanone, 2-Furoic acid,thio-,S-phenyl ester, 2-Furancarbothioic acid, S-(phenylmethyl) ester, Furan-2-carbothioic acid S-benzyl ester
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 3.3532 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 420.14746 |
Chemical Identifiers
| CAS Number | 17357-56-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=O)C2=CC=CO2 |
Product Overview
2-Furancarbothioic acid, S-(phenylmethyl) ester (CAS 17357-56-1), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: S-benzyl furan-2-carbothioate.
Chemical Property Profile of 2-Furancarbothioic acid, S-(phenylmethyl) ester
Property Insights of 2-Furancarbothioic acid, S-(phenylmethyl) ester
The XLogP value of 3.3532 indicates that 2-Furancarbothioic acid, S-(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 2-Furancarbothioic acid, S-(phenylmethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furancarbothioic acid, S-(phenylmethyl) ester has 0 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-Furancarbothioic acid, S-(phenylmethyl) ester?
The CAS number of 2-Furancarbothioic acid, S-(phenylmethyl) ester is 17357-56-1.
What is the molecular formula of 2-Furancarbothioic acid, S-(phenylmethyl) ester?
The molecular formula of 2-Furancarbothioic acid, S-(phenylmethyl) ester is C12H10O2S.
What is the molecular weight of 2-Furancarbothioic acid, S-(phenylmethyl) ester?
The molecular weight of 2-Furancarbothioic acid, S-(phenylmethyl) ester is 218.04 g/mol.
Where can I buy 2-Furancarbothioic acid, S-(phenylmethyl) ester?
You can request a quote for 2-Furancarbothioic acid, S-(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furancarbothioic acid, S-(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Furancarbothioic acid, S-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.