![Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- structure](/static/products/1138/113881-70-2.webp)
Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-
TL;DR: Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- (CAS 113881-70-2) is a chemical compound with molecular formula C18H18O2S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)hexa-1,5-dien-2-ylsulfanylbenzene
Also Known As: (+)-spirobrassinin, 2-Phenylthio-3-phenylsulfonyl-1,5-hexadiene, Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-, 3-(benzenesulfonyl)hexa-1,5-dien-2-ylsulfanylbenzene, {[3-(BENZENESULFONYL)HEXA-1,5-DIEN-2-YL]SULFANYL}BENZENE
| Molecular Formula | C18H18O2S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.07483 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 113881-70-2 |
|---|---|
| SMILES | C=CCC(C(=C)SC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | IDMLUASYGLYQSC-UHFFFAOYSA-N |
Product Overview
Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- (CAS 113881-70-2), with molecular formula C18H18O2S2 and molecular weight 330.07 g/mol. IUPAC: 3-(benzenesulfonyl)hexa-1,5-dien-2-ylsulfanylbenzene.
Chemical Property Profile of Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-
Property Insights of Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-
The XLogP value of 4.8 indicates that Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-. Following Lipinski's Rule of Five, Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- 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 Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-?
The CAS number of Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- is 113881-70-2.
What is the molecular formula of Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-?
The molecular formula of Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- is C18H18O2S2.
What is the molecular weight of Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-?
The molecular weight of Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- is 330.07 g/mol.
Where can I buy Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-?
You can request a quote for Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.