1,3-Bis(1,3-benzodioxol-5-yl)thiourea
TL;DR: 1,3-Bis(1,3-benzodioxol-5-yl)thiourea (CAS 401641-80-3) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 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-yl)thiourea
Also Known As: 1,3-bis(1,3-benzodioxol-5-yl)thiourea, N,N'-bis(1,3-benzodioxol-5-yl)thiourea, 1,3-Bis-benzo[1,3]dioxol-5-yl-thiourea, AB00107704-01, bis(2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)methane-1-thione
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 2.9529 |
| Topological Polar Surface Area | 60.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 688.81744 |
Chemical Identifiers
| CAS Number | 401641-80-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4 |
Product Overview
1,3-Bis(1,3-benzodioxol-5-yl)thiourea (CAS 401641-80-3), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: 1,3-bis(1,3-benzodioxol-5-yl)thiourea.
Chemical Property Profile of 1,3-Bis(1,3-benzodioxol-5-yl)thiourea
Property Insights of 1,3-Bis(1,3-benzodioxol-5-yl)thiourea
The XLogP value of 2.9529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(1,3-benzodioxol-5-yl)thiourea. The TPSA of 60.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(1,3-benzodioxol-5-yl)thiourea. Following Lipinski's Rule of Five, 1,3-Bis(1,3-benzodioxol-5-yl)thiourea has 2 hydrogen bond donor(s) and 5 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-yl)thiourea?
The CAS number of 1,3-Bis(1,3-benzodioxol-5-yl)thiourea is 401641-80-3.
What is the molecular formula of 1,3-Bis(1,3-benzodioxol-5-yl)thiourea?
The molecular formula of 1,3-Bis(1,3-benzodioxol-5-yl)thiourea is C15H12N2O4S.
What is the molecular weight of 1,3-Bis(1,3-benzodioxol-5-yl)thiourea?
The molecular weight of 1,3-Bis(1,3-benzodioxol-5-yl)thiourea is 316.05 g/mol.
Where can I buy 1,3-Bis(1,3-benzodioxol-5-yl)thiourea?
You can request a quote for 1,3-Bis(1,3-benzodioxol-5-yl)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-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(1,3-benzodioxol-5-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.