烯丙基(苄基)硫醚
TL;DR: 烯丙基(苄基)硫醚 (CAS 81647-98-5) is a chemical compound with molecular formula C10H12S and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烯丙基(苄基)硫醚
prop-2-enylsulfanylmethylbenzene
Also Known As: Allyl(benzyl)sulfide, benzyl allyl sulfide, allyl benzyl sulfide, 3-(Benzylthio)propene, Allylsulfanylmethyl-benzene
| Molecular Formula | C10H12S |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.06598 |
| Heavy Atoms | 11 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 81647-98-5 |
|---|---|
| SMILES | C=CCSCC1=CC=CC=C1 |
| InChIKey | JEJKPKFDMNNGDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烯丙基(苄基)硫醚 (CAS 81647-98-5), with molecular formula C10H12S and molecular weight 164.07 g/mol. IUPAC: prop-2-enylsulfanylmethylbenzene.
Chemical Property Profile of 烯丙基(苄基)硫醚
Property Insights of 烯丙基(苄基)硫醚
The XLogP value of 3.0 indicates that 烯丙基(苄基)硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 烯丙基(苄基)硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烯丙基(苄基)硫醚 has 0 hydrogen bond donor(s) and 1 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 烯丙基(苄基)硫醚?
The CAS number of 烯丙基(苄基)硫醚 is 81647-98-5.
What is the molecular formula of 烯丙基(苄基)硫醚?
The molecular formula of 烯丙基(苄基)硫醚 is C10H12S.
What is the molecular weight of 烯丙基(苄基)硫醚?
The molecular weight of 烯丙基(苄基)硫醚 is 164.07 g/mol.
Where can I buy 烯丙基(苄基)硫醚?
You can request a quote for 烯丙基(苄基)硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烯丙基(苄基)硫醚?
Yes, KEHONG BIO provides custom synthesis services for 烯丙基(苄基)硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.