(2E)-3-Phenylprop-2-enoyl isothiocyanate
TL;DR: (2E)-3-Phenylprop-2-enoyl isothiocyanate (CAS 75861-69-7) is a chemical compound with molecular formula C10H7NOS and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-phenylprop-2-enoyl isothiocyanate
Also Known As: CINNAMOYL ISOTHIOCYANATE, Cinnamoylisothiocyanate, (E)-3-phenylprop-2-enoyl isothiocyanate, 3-phenylprop-2-enoyl isothiocyanate, 3-phenylprop-2-enoylisothiocyanate
| Molecular Formula | C10H7NOS |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 2.3292 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.02484 |
| Heavy Atoms | 13 |
| Complexity | 363.77097 |
Chemical Identifiers
| CAS Number | 75861-69-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)N=C=S |
Product Overview
(2E)-3-Phenylprop-2-enoyl isothiocyanate (CAS 75861-69-7), with molecular formula C10H7NOS and molecular weight 189.02 g/mol. IUPAC: (E)-3-phenylprop-2-enoyl isothiocyanate.
Chemical Property Profile of (2E)-3-Phenylprop-2-enoyl isothiocyanate
Property Insights of (2E)-3-Phenylprop-2-enoyl isothiocyanate
The XLogP value of 2.3292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-Phenylprop-2-enoyl isothiocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, (2E)-3-Phenylprop-2-enoyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-Phenylprop-2-enoyl isothiocyanate has 0 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 (2E)-3-Phenylprop-2-enoyl isothiocyanate?
The CAS number of (2E)-3-Phenylprop-2-enoyl isothiocyanate is 75861-69-7.
What is the molecular formula of (2E)-3-Phenylprop-2-enoyl isothiocyanate?
The molecular formula of (2E)-3-Phenylprop-2-enoyl isothiocyanate is C10H7NOS.
What is the molecular weight of (2E)-3-Phenylprop-2-enoyl isothiocyanate?
The molecular weight of (2E)-3-Phenylprop-2-enoyl isothiocyanate is 189.02 g/mol.
Where can I buy (2E)-3-Phenylprop-2-enoyl isothiocyanate?
You can request a quote for (2E)-3-Phenylprop-2-enoyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-Phenylprop-2-enoyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-Phenylprop-2-enoyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.