4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide
TL;DR: 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide (CAS 206761-71-9) is a chemical compound with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(1,3-benzodioxol-5-yl)thiourea
Also Known As: 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide, 1-amino-3-(1,3-benzodioxol-5-yl)thiourea, N-(Benzo[d][1,3]dioxol-5-yl)hydrazinecarbothioamide, 7023AD, 3-amino-1-(2H-1,3-benzodioxol-5-yl)thiourea
| Molecular Formula | C8H9N3O2S |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 0.5754 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.04155 |
| Heavy Atoms | 14 |
| Complexity | 369.60406 |
Chemical Identifiers
| CAS Number | 206761-71-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NN |
Product Overview
4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide (CAS 206761-71-9), with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol. IUPAC: 1-amino-3-(1,3-benzodioxol-5-yl)thiourea.
Chemical Property Profile of 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide
Property Insights of 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide
The XLogP value of 0.5754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide has 3 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 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide?
The CAS number of 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide is 206761-71-9.
What is the molecular formula of 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide?
The molecular formula of 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide is C8H9N3O2S.
What is the molecular weight of 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide?
The molecular weight of 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide is 211.04 g/mol.
Where can I buy 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide?
You can request a quote for 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.