![3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea structure](/static/products/7700/77006-71-4.webp)
3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea
TL;DR: 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea (CAS 77006-71-4) is a chemical compound with molecular formula C20H34N4S2 and molecular weight 394.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea
Also Known As: starbld0004365, 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea, 1,1'-(1,4-Phenylene)bis(3-hexylthiourea), 1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea, 1-hexyl-3-[4-(hexylthiocarbamoylamino)phenyl]thiourea
| Molecular Formula | C20H34N4S2 |
|---|---|
| Molecular Weight | 394.22 g/mol |
| LogP | 5.42 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 394.2225 |
| Heavy Atoms | 26 |
| Complexity | 470.0474 |
Chemical Identifiers
| CAS Number | 77006-71-4 |
|---|---|
| SMILES | CCCCCCNC(=S)NC1=CC=C(C=C1)NC(=S)NCCCCCC |
Product Overview
3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea (CAS 77006-71-4), with molecular formula C20H34N4S2 and molecular weight 394.22 g/mol. IUPAC: 1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea.
Chemical Property Profile of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea
Property Insights of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea
The XLogP value of 5.42 indicates that 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.12 Ų, 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea?
The CAS number of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea is 77006-71-4.
What is the molecular formula of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea?
The molecular formula of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea is C20H34N4S2.
What is the molecular weight of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea?
The molecular weight of 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea is 394.22 g/mol.
Where can I buy 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea?
You can request a quote for 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.