3-Amino-1-benzylthiourea
TL;DR: 3-Amino-1-benzylthiourea (CAS 13431-41-9) is a chemical compound with molecular formula C8H11N3S and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-benzylthiourea
Also Known As: 4-Benzyl-3-thiosemicarbazide, N-benzylhydrazinecarbothioamide, 1-amino-3-benzylthiourea, 3-amino-1-benzylthiourea, 4-Benzylthiosemicarbazide
| Molecular Formula | C8H11N3S |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.06737 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 13431-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NN |
| InChIKey | ZTRUHAVBRPABTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-benzylthiourea (CAS 13431-41-9), with molecular formula C8H11N3S and molecular weight 181.07 g/mol. IUPAC: 1-amino-3-benzylthiourea.
Chemical Property Profile of 3-Amino-1-benzylthiourea
Property Insights of 3-Amino-1-benzylthiourea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-benzylthiourea. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-benzylthiourea. Following Lipinski's Rule of Five, 3-Amino-1-benzylthiourea has 3 hydrogen bond donor(s) and 2 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 3-Amino-1-benzylthiourea?
The CAS number of 3-Amino-1-benzylthiourea is 13431-41-9.
What is the molecular formula of 3-Amino-1-benzylthiourea?
The molecular formula of 3-Amino-1-benzylthiourea is C8H11N3S.
What is the molecular weight of 3-Amino-1-benzylthiourea?
The molecular weight of 3-Amino-1-benzylthiourea is 181.07 g/mol.
Where can I buy 3-Amino-1-benzylthiourea?
You can request a quote for 3-Amino-1-benzylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-benzylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-benzylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.