4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide
TL;DR: 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide (CAS 71058-34-9) is a chemical compound with molecular formula C9H13N3OS and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(2-methoxy-5-methylphenyl)thiourea
Also Known As: 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide, N-(2-methoxy-5-methylphenyl)hydrazinecarbothioamide, 1-amino-3-(2-methoxy-5-methylphenyl)thiourea, 4- -3-THIOSEMICARBAZIDE, 3-METHYL-1-HEXYLCYCLOHEXANE
| Molecular Formula | C9H13N3OS |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 1.16372 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.07793 |
| Heavy Atoms | 14 |
| Complexity | 340.82898 |
Chemical Identifiers
| CAS Number | 71058-34-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=S)NN |
Product Overview
4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide (CAS 71058-34-9), with molecular formula C9H13N3OS and molecular weight 211.08 g/mol. IUPAC: 1-amino-3-(2-methoxy-5-methylphenyl)thiourea.
Chemical Property Profile of 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide
Property Insights of 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide
The XLogP value of 1.16372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 59.31 Ų, 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 3 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-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide?
The CAS number of 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide is 71058-34-9.
What is the molecular formula of 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide?
The molecular formula of 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide is C9H13N3OS.
What is the molecular weight of 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide?
The molecular weight of 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide is 211.08 g/mol.
Where can I buy 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide?
You can request a quote for 4-(2-Methoxy-5-methylphenyl)-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-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.