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Benzoic acid, 2-[(2-thienylmethylene)amino]-
TL;DR: Benzoic acid, 2-[(2-thienylmethylene)amino]- (CAS 18210-06-5) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophen-2-ylmethylideneamino)benzoic acid
Also Known As: 2-(thiophen-2-ylmethylideneamino)benzoic Acid, Benzoic acid, 2-[(2-thienylmethylene)amino]-, 2-(2-Thienylmethyleneamino)benzoic acid, J2.295.997B, 2-{[(E)-2-thienylmethylidene]amino}benzoic acid
| Molecular Formula | C12H9NO2S |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 3.1969 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.0354 |
| Heavy Atoms | 16 |
| Complexity | 517.5748 |
Chemical Identifiers
| CAS Number | 18210-06-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=CS2 |
Product Overview
Benzoic acid, 2-[(2-thienylmethylene)amino]- (CAS 18210-06-5), with molecular formula C12H9NO2S and molecular weight 231.04 g/mol. IUPAC: 2-(thiophen-2-ylmethylideneamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-[(2-thienylmethylene)amino]-
Property Insights of Benzoic acid, 2-[(2-thienylmethylene)amino]-
The XLogP value of 3.1969 indicates that Benzoic acid, 2-[(2-thienylmethylene)amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.66 Ų, Benzoic acid, 2-[(2-thienylmethylene)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[(2-thienylmethylene)amino]- has 1 hydrogen bond donor(s) and 3 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 Benzoic acid, 2-[(2-thienylmethylene)amino]-?
The CAS number of Benzoic acid, 2-[(2-thienylmethylene)amino]- is 18210-06-5.
What is the molecular formula of Benzoic acid, 2-[(2-thienylmethylene)amino]-?
The molecular formula of Benzoic acid, 2-[(2-thienylmethylene)amino]- is C12H9NO2S.
What is the molecular weight of Benzoic acid, 2-[(2-thienylmethylene)amino]-?
The molecular weight of Benzoic acid, 2-[(2-thienylmethylene)amino]- is 231.04 g/mol.
Where can I buy Benzoic acid, 2-[(2-thienylmethylene)amino]-?
You can request a quote for Benzoic acid, 2-[(2-thienylmethylene)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(2-thienylmethylene)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(2-thienylmethylene)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.