(1-Methylazepan-2-ylidene)thiourea
TL;DR: (1-Methylazepan-2-ylidene)thiourea (CAS 84690-68-6) is a chemical compound with molecular formula C8H15N3S and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylazepan-2-ylidene)thiourea
Also Known As: (1-methylazepan-2-ylidene)thiourea, (Hexahydro-1-methyl-2H-azepin-2-ylidene)thiourea, Thiourea,N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-
| Molecular Formula | C8H15N3S |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 1.1343 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.09866 |
| Heavy Atoms | 12 |
| Complexity | 200.47966 |
Chemical Identifiers
| CAS Number | 84690-68-6 |
|---|---|
| SMILES | CN1CCCCCC1=NC(=S)N |
Product Overview
(1-Methylazepan-2-ylidene)thiourea (CAS 84690-68-6), with molecular formula C8H15N3S and molecular weight 185.10 g/mol. IUPAC: (1-methylazepan-2-ylidene)thiourea.
Chemical Property Profile of (1-Methylazepan-2-ylidene)thiourea
Property Insights of (1-Methylazepan-2-ylidene)thiourea
The XLogP value of 1.1343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methylazepan-2-ylidene)thiourea. With a topological polar surface area (TPSA) of 41.62 Ų, (1-Methylazepan-2-ylidene)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylazepan-2-ylidene)thiourea has 1 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 (1-Methylazepan-2-ylidene)thiourea?
The CAS number of (1-Methylazepan-2-ylidene)thiourea is 84690-68-6.
What is the molecular formula of (1-Methylazepan-2-ylidene)thiourea?
The molecular formula of (1-Methylazepan-2-ylidene)thiourea is C8H15N3S.
What is the molecular weight of (1-Methylazepan-2-ylidene)thiourea?
The molecular weight of (1-Methylazepan-2-ylidene)thiourea is 185.10 g/mol.
Where can I buy (1-Methylazepan-2-ylidene)thiourea?
You can request a quote for (1-Methylazepan-2-ylidene)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylazepan-2-ylidene)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylazepan-2-ylidene)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.