1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea
TL;DR: 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea (CAS 6340-17-6) is a chemical compound with molecular formula C17H14N4O4S and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea
Also Known As: 1,3-bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea, 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(E)-1,3-benz
| Molecular Formula | C17H14N4O4S |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 1.9761 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.07358 |
| Heavy Atoms | 26 |
| Complexity | 828.8268 |
Chemical Identifiers
| CAS Number | 6340-17-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NNC(=S)NN=CC3=CC4=C(C=C3)OCO4 |
Product Overview
1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea (CAS 6340-17-6), with molecular formula C17H14N4O4S and molecular weight 370.07 g/mol. IUPAC: 1,3-bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea.
Chemical Property Profile of 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea
Property Insights of 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea
The XLogP value of 1.9761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea. Following Lipinski's Rule of Five, 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea has 2 hydrogen bond donor(s) and 7 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 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea?
The CAS number of 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea is 6340-17-6.
What is the molecular formula of 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea?
The molecular formula of 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea is C17H14N4O4S.
What is the molecular weight of 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea?
The molecular weight of 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea is 370.07 g/mol.
Where can I buy 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea?
You can request a quote for 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(1,3-benzodioxol-5-ylmethylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.