1-(Cyclooctylideneamino)-3-prop-2-enylthiourea
TL;DR: 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea (CAS 452965-05-8) is a chemical compound with molecular formula C12H21N3S and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclooctylideneamino)-3-prop-2-enylthiourea
Also Known As: 1-(cyclooctylideneamino)-3-prop-2-enylthiourea, 2-Cyclooctylidene-N-(prop-2-en-1-yl)hydrazine-1-carbothioamide
| Molecular Formula | C12H21N3S |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 2.7368 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.14561 |
| Heavy Atoms | 16 |
| Complexity | 250.98949 |
Chemical Identifiers
| CAS Number | 452965-05-8 |
|---|---|
| SMILES | C=CCNC(=S)NN=C1CCCCCCC1 |
Product Overview
1-(Cyclooctylideneamino)-3-prop-2-enylthiourea (CAS 452965-05-8), with molecular formula C12H21N3S and molecular weight 239.15 g/mol. IUPAC: 1-(cyclooctylideneamino)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea
Property Insights of 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea
The XLogP value of 2.7368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea. With a topological polar surface area (TPSA) of 36.42 Ų, 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea has 2 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 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea?
The CAS number of 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea is 452965-05-8.
What is the molecular formula of 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea?
The molecular formula of 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea is C12H21N3S.
What is the molecular weight of 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea?
The molecular weight of 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea is 239.15 g/mol.
Where can I buy 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea?
You can request a quote for 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Cyclooctylideneamino)-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.