(1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide
TL;DR: (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide (CAS 151052-73-2) is a chemical compound with molecular formula C16H10Cl3NO2S2 and molecular weight 416.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl)sulfanylbenzene
Also Known As: NCI60_022444, 3,4,4-trichloro-2-nitro-1,1-diphenylthiobuta-1,3-diene, (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide, (3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl)sulfanylbenzene, (3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl)sulfanylbenzene
| Molecular Formula | C16H10Cl3NO2S2 |
|---|---|
| Molecular Weight | 416.92 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.92184 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 151052-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2 |
| InChIKey | KDLDVVOYKRVOOK-UHFFFAOYSA-N |
Product Overview
(1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide (CAS 151052-73-2), with molecular formula C16H10Cl3NO2S2 and molecular weight 416.92 g/mol. IUPAC: (3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl)sulfanylbenzene.
Chemical Property Profile of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide
Property Insights of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide
The XLogP value of 7.0 indicates that (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide. Following Lipinski's Rule of Five, (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide?
The CAS number of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide is 151052-73-2.
What is the molecular formula of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide?
The molecular formula of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide is C16H10Cl3NO2S2.
What is the molecular weight of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide?
The molecular weight of (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide is 416.92 g/mol.
Where can I buy (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide?
You can request a quote for (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide?
Yes, KEHONG BIO provides custom synthesis services for (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.