Benzene, 1-methyl-4-(2-propynylsulfonyl)-
TL;DR: Benzene, 1-methyl-4-(2-propynylsulfonyl)- (CAS 16192-07-7) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-prop-2-ynylsulfonylbenzene
Also Known As: Propargyl Tosylate, 1-tosyl-2-propyne, 1-methyl-4-(prop-2-yn-1-ylsulfonyl)benzene, p-Tolylpropargyl sulfone, Benzene, 1-methyl-4-(2-propynylsulfonyl)-
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 16192-07-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC#C |
| InChIKey | ZKABKQMDZXMAMW-UHFFFAOYSA-N |
Product Overview
Benzene, 1-methyl-4-(2-propynylsulfonyl)- (CAS 16192-07-7), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 1-methyl-4-prop-2-ynylsulfonylbenzene.
Chemical Property Profile of Benzene, 1-methyl-4-(2-propynylsulfonyl)-
Property Insights of Benzene, 1-methyl-4-(2-propynylsulfonyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-methyl-4-(2-propynylsulfonyl)-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, 1-methyl-4-(2-propynylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-(2-propynylsulfonyl)- 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 Benzene, 1-methyl-4-(2-propynylsulfonyl)-?
The CAS number of Benzene, 1-methyl-4-(2-propynylsulfonyl)- is 16192-07-7.
What is the molecular formula of Benzene, 1-methyl-4-(2-propynylsulfonyl)-?
The molecular formula of Benzene, 1-methyl-4-(2-propynylsulfonyl)- is C10H10O2S.
What is the molecular weight of Benzene, 1-methyl-4-(2-propynylsulfonyl)-?
The molecular weight of Benzene, 1-methyl-4-(2-propynylsulfonyl)- is 194.04 g/mol.
Where can I buy Benzene, 1-methyl-4-(2-propynylsulfonyl)-?
You can request a quote for Benzene, 1-methyl-4-(2-propynylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-4-(2-propynylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-(2-propynylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.