(3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d
TL;DR: (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d (CAS 39656-38-7) is a chemical compound with molecular formula C14H17N5S4 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea
Also Known As: (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d, 3-[5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea
| Molecular Formula | C14H17N5S4 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 383.03668 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 39656-38-7 |
|---|---|
| SMILES | CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=CC=C2 |
| InChIKey | CQJJTLLHTIZZFM-UHFFFAOYSA-N |
Product Overview
(3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d (CAS 39656-38-7), with molecular formula C14H17N5S4 and molecular weight 383.04 g/mol. IUPAC: 3-[5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea.
Chemical Property Profile of (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d
Property Insights of (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d
The XLogP value of 3.5 indicates that (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d 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 (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d?
The CAS number of (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d is 39656-38-7.
What is the molecular formula of (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d?
The molecular formula of (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d is C14H17N5S4.
What is the molecular weight of (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d?
The molecular weight of (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d is 383.04 g/mol.
Where can I buy (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d?
You can request a quote for (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.