Benzene, (1-propynylthio)-
TL;DR: Benzene, (1-propynylthio)- (CAS 6212-77-7) is a chemical compound with molecular formula C9H8S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-1-ynylsulfanylbenzene
Also Known As: Benzene, (1-propynylthio)-, prop-1-ynylsulfanylbenzene, (1-Propynylsulfanyl)benzene, phenyl 1-propynyl sulfide, (1-Propynylsulfanyl)benzene #
| Molecular Formula | C9H8S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.03467 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 6212-77-7 |
|---|---|
| SMILES | CC#CSC1=CC=CC=C1 |
| InChIKey | WGIDBXUWYGBHKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1-propynylthio)- (CAS 6212-77-7), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: prop-1-ynylsulfanylbenzene.
Chemical Property Profile of Benzene, (1-propynylthio)-
Property Insights of Benzene, (1-propynylthio)-
The XLogP value of 3.3 indicates that Benzene, (1-propynylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, (1-propynylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-propynylthio)- 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-propynylthio)-?
The CAS number of Benzene, (1-propynylthio)- is 6212-77-7.
What is the molecular formula of Benzene, (1-propynylthio)-?
The molecular formula of Benzene, (1-propynylthio)- is C9H8S.
What is the molecular weight of Benzene, (1-propynylthio)-?
The molecular weight of Benzene, (1-propynylthio)- is 148.03 g/mol.
Where can I buy Benzene, (1-propynylthio)-?
You can request a quote for Benzene, (1-propynylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-propynylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-propynylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.