(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
TL;DR: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide (CAS 348593-10-2) is a chemical compound with molecular formula C15H11Cl2N3O2S and molecular weight 366.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,4-dichlorophenyl)thiourea
Also Known As: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide, (E)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide, 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,4-dichlorophenyl)thiourea
| Molecular Formula | C15H11Cl2N3O2S |
|---|---|
| Molecular Weight | 366.99 g/mol |
| LogP | 4.0426 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.9949 |
| Heavy Atoms | 23 |
| Complexity | 783.31244 |
Chemical Identifiers
| CAS Number | 348593-10-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/NC(=S)NC3=C(C=C(C=C3)Cl)Cl |
Product Overview
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide (CAS 348593-10-2), with molecular formula C15H11Cl2N3O2S and molecular weight 366.99 g/mol. IUPAC: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,4-dichlorophenyl)thiourea.
Chemical Property Profile of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
Property Insights of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
The XLogP value of 4.0426 indicates that (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide has 2 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 (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide?
The CAS number of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide is 348593-10-2.
What is the molecular formula of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide?
The molecular formula of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide is C15H11Cl2N3O2S.
What is the molecular weight of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide?
The molecular weight of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide is 366.99 g/mol.
Where can I buy (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide?
You can request a quote for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.