Benzenesulfenamide, 3-nitro-N-2-propenyl-
TL;DR: Benzenesulfenamide, 3-nitro-N-2-propenyl- (CAS 61076-26-4) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)sulfanylprop-2-en-1-amine
Also Known As: Benzenesulfenamide, 3-nitro-N-2-propenyl-, N-(3-nitrophenyl)sulfanylprop-2-en-1-amine, N-[(3-Nitrophenyl)sulfanyl]prop-2-en-1-amine, RefChem:325188
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 61076-26-4 |
|---|---|
| SMILES | C=CCNSC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | BOADNGULBMPWAU-UHFFFAOYSA-N |
Product Overview
Benzenesulfenamide, 3-nitro-N-2-propenyl- (CAS 61076-26-4), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: N-(3-nitrophenyl)sulfanylprop-2-en-1-amine.
Chemical Property Profile of Benzenesulfenamide, 3-nitro-N-2-propenyl-
Property Insights of Benzenesulfenamide, 3-nitro-N-2-propenyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfenamide, 3-nitro-N-2-propenyl-. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfenamide, 3-nitro-N-2-propenyl-. Following Lipinski's Rule of Five, Benzenesulfenamide, 3-nitro-N-2-propenyl- has 1 hydrogen bond donor(s) and 4 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 Benzenesulfenamide, 3-nitro-N-2-propenyl-?
The CAS number of Benzenesulfenamide, 3-nitro-N-2-propenyl- is 61076-26-4.
What is the molecular formula of Benzenesulfenamide, 3-nitro-N-2-propenyl-?
The molecular formula of Benzenesulfenamide, 3-nitro-N-2-propenyl- is C9H10N2O2S.
What is the molecular weight of Benzenesulfenamide, 3-nitro-N-2-propenyl-?
The molecular weight of Benzenesulfenamide, 3-nitro-N-2-propenyl- is 210.05 g/mol.
Where can I buy Benzenesulfenamide, 3-nitro-N-2-propenyl-?
You can request a quote for Benzenesulfenamide, 3-nitro-N-2-propenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfenamide, 3-nitro-N-2-propenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfenamide, 3-nitro-N-2-propenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.