![2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid structure](/static/products/7744/77440-81-4.webp)
2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid
TL;DR: 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid (CAS 77440-81-4) is a chemical compound with molecular formula C11H10ClN3S and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-chloro-1H-inden-2-yl)methylideneamino]thiourea
Also Known As: [(3-chloro-1H-inden-2-yl)methylideneamino]thiourea|2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid
| Molecular Formula | C11H10ClN3S |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 2.0116 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0284 |
| Heavy Atoms | 16 |
| Complexity | 493.75797 |
Chemical Identifiers
| CAS Number | 77440-81-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=C1C=NNC(=S)N)Cl |
Product Overview
2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid (CAS 77440-81-4), with molecular formula C11H10ClN3S and molecular weight 251.03 g/mol. IUPAC: [(3-chloro-1H-inden-2-yl)methylideneamino]thiourea.
Chemical Property Profile of 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid
Property Insights of 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid
The XLogP value of 2.0116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid. With a topological polar surface area (TPSA) of 50.41 Ų, 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid 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 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid?
The CAS number of 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid is 77440-81-4.
What is the molecular formula of 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid?
The molecular formula of 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid is C11H10ClN3S.
What is the molecular weight of 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid?
The molecular weight of 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid is 251.03 g/mol.
Where can I buy 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid?
You can request a quote for 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloro-1H-inden-2-yl)methylidene]hydrazine-1-carboximidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.