1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene
TL;DR: 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene (CAS 22358-80-1) is a chemical compound with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isothiocyanatomethyl)-4-(4-nitrophenyl)benzene
Also Known As: Mannose-1,6-bisphosphate, 1-(isothiocyanatomethyl)-4-(4-nitrophenyl)benzene, 4-(isothiocyanatomethyl)-4'-nitrobiphenyl, 4-Nitro-4'-biphenylmethylisothiocyanate, 4-Isocyanatomethyl-4/'-nitro-1,1/'-biphenyl
| Molecular Formula | C14H10N2O2S |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0463 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 22358-80-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=C=S)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NWZPASVWNLBXDJ-UHFFFAOYSA-N |
Product Overview
1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene (CAS 22358-80-1), with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol. IUPAC: 1-(isothiocyanatomethyl)-4-(4-nitrophenyl)benzene.
Chemical Property Profile of 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene
Property Insights of 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene
The XLogP value of 4.7 indicates that 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene. Following Lipinski's Rule of Five, 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene has 0 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 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene?
The CAS number of 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene is 22358-80-1.
What is the molecular formula of 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene?
The molecular formula of 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene is C14H10N2O2S.
What is the molecular weight of 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene?
The molecular weight of 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene is 270.05 g/mol.
Where can I buy 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene?
You can request a quote for 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isothiocyanatomethyl)-4-(4-nitrophenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.