3-(Benzylsulfanyl)prop-2-enoic acid
TL;DR: 3-(Benzylsulfanyl)prop-2-enoic acid (CAS 13831-02-2) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanylprop-2-enoic acid
Also Known As: 3-benzylsulfanylprop-2-enoic acid, 3-(Benzylsulfanyl)prop-2-enoic acid, 2-Propenoic acid, 3-[(phenylmethyl)thio]-, (2Z)-, (2Z)-3-(BENZYLSULFANYL)PROP-2-ENOIC ACID
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 13831-02-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC=CC(=O)O |
| InChIKey | PILARZPCBNUNMH-UHFFFAOYSA-N |
Product Overview
3-(Benzylsulfanyl)prop-2-enoic acid (CAS 13831-02-2), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 3-benzylsulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(Benzylsulfanyl)prop-2-enoic acid
Property Insights of 3-(Benzylsulfanyl)prop-2-enoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylsulfanyl)prop-2-enoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzylsulfanyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(Benzylsulfanyl)prop-2-enoic acid 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 3-(Benzylsulfanyl)prop-2-enoic acid?
The CAS number of 3-(Benzylsulfanyl)prop-2-enoic acid is 13831-02-2.
What is the molecular formula of 3-(Benzylsulfanyl)prop-2-enoic acid?
The molecular formula of 3-(Benzylsulfanyl)prop-2-enoic acid is C10H10O2S.
What is the molecular weight of 3-(Benzylsulfanyl)prop-2-enoic acid?
The molecular weight of 3-(Benzylsulfanyl)prop-2-enoic acid is 194.04 g/mol.
Where can I buy 3-(Benzylsulfanyl)prop-2-enoic acid?
You can request a quote for 3-(Benzylsulfanyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylsulfanyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylsulfanyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.