1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea
TL;DR: 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea (CAS 314764-39-1) is a chemical compound with molecular formula C13H17N3S and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclopentylideneamino)-3-(3-methylphenyl)thiourea
Also Known As: cyclopentanone N-(3-methylphenyl)thiosemicarbazone, 1-(cyclopentylideneamino)-3-(3-methylphenyl)thiourea, AB01321355-02, AN-329/40239033, 2-cyclopentylidene-N-(3-methylphenyl)hydrazinecarbothioamide
| Molecular Formula | C13H17N3S |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.11432 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 314764-39-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NN=C2CCCC2 |
| InChIKey | HQVXOPIUEDYSHB-UHFFFAOYSA-N |
Product Overview
1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea (CAS 314764-39-1), with molecular formula C13H17N3S and molecular weight 247.11 g/mol. IUPAC: 1-(cyclopentylideneamino)-3-(3-methylphenyl)thiourea.
Chemical Property Profile of 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea
Property Insights of 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea. Following Lipinski's Rule of Five, 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea 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-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea?
The CAS number of 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea is 314764-39-1.
What is the molecular formula of 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea?
The molecular formula of 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea is C13H17N3S.
What is the molecular weight of 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea?
The molecular weight of 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea is 247.11 g/mol.
Where can I buy 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea?
You can request a quote for 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Cyclopentylideneamino)-3-(3-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.