(6-Methylheptan-2-yl)thiourea
TL;DR: (6-Methylheptan-2-yl)thiourea (CAS 747411-48-9) is a chemical compound with molecular formula C9H20N2S and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptan-2-ylthiourea
Also Known As: (6-methylheptan-2-yl)thiourea, N-(1,5-dimethylhexyl)thiourea, 6-methylheptan-2-ylthiourea, 985-383-0, RefChem:405088
| Molecular Formula | C9H20N2S |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.0344 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.13472 |
| Heavy Atoms | 12 |
| Complexity | 134.49022 |
Chemical Identifiers
| CAS Number | 747411-48-9 |
|---|---|
| SMILES | CC(C)CCCC(C)NC(=S)N |
Product Overview
(6-Methylheptan-2-yl)thiourea (CAS 747411-48-9), with molecular formula C9H20N2S and molecular weight 188.13 g/mol. IUPAC: 6-methylheptan-2-ylthiourea.
Chemical Property Profile of (6-Methylheptan-2-yl)thiourea
Property Insights of (6-Methylheptan-2-yl)thiourea
The XLogP value of 2.0344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Methylheptan-2-yl)thiourea. With a topological polar surface area (TPSA) of 38.05 Ų, (6-Methylheptan-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Methylheptan-2-yl)thiourea has 2 hydrogen bond donor(s) and 1 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 (6-Methylheptan-2-yl)thiourea?
The CAS number of (6-Methylheptan-2-yl)thiourea is 747411-48-9.
What is the molecular formula of (6-Methylheptan-2-yl)thiourea?
The molecular formula of (6-Methylheptan-2-yl)thiourea is C9H20N2S.
What is the molecular weight of (6-Methylheptan-2-yl)thiourea?
The molecular weight of (6-Methylheptan-2-yl)thiourea is 188.13 g/mol.
Where can I buy (6-Methylheptan-2-yl)thiourea?
You can request a quote for (6-Methylheptan-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Methylheptan-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (6-Methylheptan-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.