4-Octyl-3-thiosemicarbazide
TL;DR: 4-Octyl-3-thiosemicarbazide (CAS 13207-36-8) is a chemical compound with molecular formula C9H21N3S and molecular weight 203.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-octylthiourea
Also Known As: 4-Octyl-3-thiosemicarbazide, 1-amino-3-octylthiourea, N-Octylhydrazinecarbothioamide, 3-amino-1-octylthiourea, 4-Octylthiosemicarbazide
| Molecular Formula | C9H21N3S |
|---|---|
| Molecular Weight | 203.15 g/mol |
| LogP | 1.6847 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 203.14561 |
| Heavy Atoms | 13 |
| Complexity | 128.02823 |
Chemical Identifiers
| CAS Number | 13207-36-8 |
|---|---|
| SMILES | CCCCCCCCNC(=S)NN |
Product Overview
4-Octyl-3-thiosemicarbazide (CAS 13207-36-8), with molecular formula C9H21N3S and molecular weight 203.15 g/mol. IUPAC: 1-amino-3-octylthiourea.
Chemical Property Profile of 4-Octyl-3-thiosemicarbazide
Property Insights of 4-Octyl-3-thiosemicarbazide
The XLogP value of 1.6847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Octyl-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-Octyl-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octyl-3-thiosemicarbazide 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 4-Octyl-3-thiosemicarbazide?
The CAS number of 4-Octyl-3-thiosemicarbazide is 13207-36-8.
What is the molecular formula of 4-Octyl-3-thiosemicarbazide?
The molecular formula of 4-Octyl-3-thiosemicarbazide is C9H21N3S.
What is the molecular weight of 4-Octyl-3-thiosemicarbazide?
The molecular weight of 4-Octyl-3-thiosemicarbazide is 203.15 g/mol.
Where can I buy 4-Octyl-3-thiosemicarbazide?
You can request a quote for 4-Octyl-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-Octyl-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Octyl-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.