2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-
TL;DR: 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- (CAS 113330-83-9) is a chemical compound with molecular formula C14H14OS and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-benzylidene-5-propylthiophen-2-one
Also Known As: 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-, 3-(Phenylmethylene)-5-propyl-2(3H)-thiophenone, (3E)-3-benzylidene-5-propylthiophen-2-one, RefChem:1058762, BRN 4426432
| Molecular Formula | C14H14OS |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 4.0274 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.07654 |
| Heavy Atoms | 16 |
| Complexity | 443.06296 |
Chemical Identifiers
| CAS Number | 113330-83-9 |
|---|---|
| SMILES | CCCC1=C/C(=C\C2=CC=CC=C2)/C(=O)S1 |
Product Overview
2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- (CAS 113330-83-9), with molecular formula C14H14OS and molecular weight 230.08 g/mol. IUPAC: (3E)-3-benzylidene-5-propylthiophen-2-one.
Chemical Property Profile of 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-
Property Insights of 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-
The XLogP value of 4.0274 indicates that 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- 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 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-?
The CAS number of 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- is 113330-83-9.
What is the molecular formula of 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-?
The molecular formula of 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- is C14H14OS.
What is the molecular weight of 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-?
The molecular weight of 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- is 230.08 g/mol.
Where can I buy 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-?
You can request a quote for 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.