1-Nitro-4-(1-propynylthio)benzene
TL;DR: 1-Nitro-4-(1-propynylthio)benzene (CAS 90348-06-4) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-prop-1-ynylsulfanylbenzene
Also Known As: 1-nitro-4-(1-propynylthio)benzene, 1-nitro-4-prop-1-ynylsulfanylbenzene, 1-nitro-4-prop-1-ynylsulfanyl-benzene, (4-nitrophenyl)(prop-1-yn-1-yl)sulfane
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.6677 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 361.44135 |
Chemical Identifiers
| CAS Number | 90348-06-4 |
|---|---|
| SMILES | CC#CSC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-Nitro-4-(1-propynylthio)benzene (CAS 90348-06-4), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 1-nitro-4-prop-1-ynylsulfanylbenzene.
Chemical Property Profile of 1-Nitro-4-(1-propynylthio)benzene
Property Insights of 1-Nitro-4-(1-propynylthio)benzene
The XLogP value of 2.6677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-(1-propynylthio)benzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Nitro-4-(1-propynylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-(1-propynylthio)benzene 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 1-Nitro-4-(1-propynylthio)benzene?
The CAS number of 1-Nitro-4-(1-propynylthio)benzene is 90348-06-4.
What is the molecular formula of 1-Nitro-4-(1-propynylthio)benzene?
The molecular formula of 1-Nitro-4-(1-propynylthio)benzene is C9H7NO2S.
What is the molecular weight of 1-Nitro-4-(1-propynylthio)benzene?
The molecular weight of 1-Nitro-4-(1-propynylthio)benzene is 193.02 g/mol.
Where can I buy 1-Nitro-4-(1-propynylthio)benzene?
You can request a quote for 1-Nitro-4-(1-propynylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-(1-propynylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(1-propynylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.