4-Hexyl-3-thiosemicarbazide
TL;DR: 4-Hexyl-3-thiosemicarbazide (CAS 53347-40-3) is a chemical compound with molecular formula C7H17N3S and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-hexylthiourea
Also Known As: 4-Hexyl-3-thiosemicarbazide, N-Hexylhydrazinecarbothioamide, 1-amino-3-hexylthiourea, 1-amino-3-hexyl-thiourea, Hydrazinecarbothioamide,N-hexyl-
| Molecular Formula | C7H17N3S |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 0.9045 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 175.11432 |
| Heavy Atoms | 11 |
| Complexity | 105.85881 |
Chemical Identifiers
| CAS Number | 53347-40-3 |
|---|---|
| SMILES | CCCCCCNC(=S)NN |
Product Overview
4-Hexyl-3-thiosemicarbazide (CAS 53347-40-3), with molecular formula C7H17N3S and molecular weight 175.11 g/mol. IUPAC: 1-amino-3-hexylthiourea.
Chemical Property Profile of 4-Hexyl-3-thiosemicarbazide
Property Insights of 4-Hexyl-3-thiosemicarbazide
The XLogP value of 0.9045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexyl-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-Hexyl-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyl-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-Hexyl-3-thiosemicarbazide?
The CAS number of 4-Hexyl-3-thiosemicarbazide is 53347-40-3.
What is the molecular formula of 4-Hexyl-3-thiosemicarbazide?
The molecular formula of 4-Hexyl-3-thiosemicarbazide is C7H17N3S.
What is the molecular weight of 4-Hexyl-3-thiosemicarbazide?
The molecular weight of 4-Hexyl-3-thiosemicarbazide is 175.11 g/mol.
Where can I buy 4-Hexyl-3-thiosemicarbazide?
You can request a quote for 4-Hexyl-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-Hexyl-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyl-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.