Benzene, 1-(methylseleno)-4-(methylthio)-
TL;DR: Benzene, 1-(methylseleno)-4-(methylthio)- (CAS 70086-65-6) is a chemical compound with molecular formula C8H10SSe and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylselanyl-4-methylsulfanylbenzene
Also Known As: Benzene,1- -4- -, Benzene, 1-(methylseleno)-4-(methylthio)-, 1-methylselanyl-4-methylsulfanylbenzene, Benzene,1-(methylseleno)-4-(methylthio)-, 1-(methylselanyl)-4-(methylsulfanyl)benzene
| Molecular Formula | C8H10SSe |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 1.7861 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.96684 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 70086-65-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)[Se]C |
| InChIKey | OCIOBNMFWKTABO-UHFFFAOYSA-N |
Product Overview
Benzene, 1-(methylseleno)-4-(methylthio)- (CAS 70086-65-6), with molecular formula C8H10SSe and molecular weight 217.97 g/mol. IUPAC: 1-methylselanyl-4-methylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-(methylseleno)-4-(methylthio)-
Property Insights of Benzene, 1-(methylseleno)-4-(methylthio)-
The XLogP value of 1.7861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(methylseleno)-4-(methylthio)-. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-(methylseleno)-4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(methylseleno)-4-(methylthio)- 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 Benzene, 1-(methylseleno)-4-(methylthio)-?
The CAS number of Benzene, 1-(methylseleno)-4-(methylthio)- is 70086-65-6.
What is the molecular formula of Benzene, 1-(methylseleno)-4-(methylthio)-?
The molecular formula of Benzene, 1-(methylseleno)-4-(methylthio)- is C8H10SSe.
What is the molecular weight of Benzene, 1-(methylseleno)-4-(methylthio)-?
The molecular weight of Benzene, 1-(methylseleno)-4-(methylthio)- is 217.97 g/mol.
Where can I buy Benzene, 1-(methylseleno)-4-(methylthio)-?
You can request a quote for Benzene, 1-(methylseleno)-4-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(methylseleno)-4-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(methylseleno)-4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.