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1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea
TL;DR: 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea (CAS 76572-67-3) is a chemical compound with molecular formula C14H12ClN3S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methylideneamino]-3-phenylthiourea
Also Known As: 3-chloro-benzaldehyde-(4-phenyl thiosemicarbazone), 1-[(3-chlorophenyl)methylideneamino]-3-phenylthiourea
| Molecular Formula | C14H12ClN3S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.6605 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.04404 |
| Heavy Atoms | 19 |
| Complexity | 584.25476 |
Chemical Identifiers
| CAS Number | 76572-67-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN=CC2=CC(=CC=C2)Cl |
Product Overview
1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea (CAS 76572-67-3), with molecular formula C14H12ClN3S and molecular weight 289.04 g/mol. IUPAC: 1-[(3-chlorophenyl)methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea
Property Insights of 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea
The XLogP value of 3.6605 indicates that 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.42 Ų, 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea 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-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea?
The CAS number of 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea is 76572-67-3.
What is the molecular formula of 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea?
The molecular formula of 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea is C14H12ClN3S.
What is the molecular weight of 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea?
The molecular weight of 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea is 289.04 g/mol.
Where can I buy 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea?
You can request a quote for 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chlorophenyl)methylideneamino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.