C29H31N3OS3
TL;DR: C29H31N3OS3 (CAS 1009434-43-8) is a chemical compound with molecular formula C29H31N3OS3 and molecular weight 533.1629 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-((3-(4-(butylthio)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-cyclohexyl-2-thioxothiazolidin-4-one, (5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one, C29H31N3OS3
Technical Specifications
| Molecular Formula | C29H31N3OS3 |
| Molecular Weight | 533.1629 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1629 Da |
| Heavy Atoms | 36 |
| Complexity | 785.0 |
| SMILES | CCCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5 |
| InChIKey | SGMFGMXDUAUFIN-XHPQRKPJSA-N |
Chemical Property Profile of C29H31N3OS3
Property Insights of C29H31N3OS3
The XLogP value of 8.2 indicates that C29H31N3OS3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H31N3OS3. Following Lipinski's Rule of Five, C29H31N3OS3 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H31N3OS3?
The CAS number of C29H31N3OS3 is 1009434-43-8.
What is the molecular formula of C29H31N3OS3?
The molecular formula of C29H31N3OS3 is C29H31N3OS3.
What is the molecular weight of C29H31N3OS3?
The molecular weight of C29H31N3OS3 is 533.1629 g/mol.
Where can I buy C29H31N3OS3?
You can request a quote for C29H31N3OS3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H31N3OS3?
Yes, CoreyChem provides custom synthesis services for C29H31N3OS3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.