2-硝基-5-硫代氨甲酰苯甲酸
TL;DR: 2-硝基-5-硫代氨甲酰苯甲酸 (CAS 137091-49-7) is a chemical compound with molecular formula C8H6N2O5S and molecular weight 242.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基-5-硫代氨甲酰苯甲酸
5-carbamoylsulfanyl-2-nitrobenzoic acid
Also Known As: 2-Ntcba, 2-Nitro-5-carbamylthiobenzoic acid, 2-Nitro-5-thiocarbamylbenzoic acid, 5-carbamothioyl-2-nitrobenzoic acid, 5-carbamoylsulfanyl-2-nitrobenzoic acid
| Molecular Formula | C8H6N2O5S |
|---|---|
| Molecular Weight | 242.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.99974 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 137091-49-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC(=O)N)C(=O)O)[N+](=O)[O-] |
| InChIKey | MKJSYUAWCFCTKL-UHFFFAOYSA-N |
Product Overview
2-硝基-5-硫代氨甲酰苯甲酸 (CAS 137091-49-7), with molecular formula C8H6N2O5S and molecular weight 242.00 g/mol. IUPAC: 5-carbamoylsulfanyl-2-nitrobenzoic acid.
Chemical Property Profile of 2-硝基-5-硫代氨甲酰苯甲酸
Property Insights of 2-硝基-5-硫代氨甲酰苯甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基-5-硫代氨甲酰苯甲酸. The TPSA of 152.0 Ų indicates high polarity, suggesting 2-硝基-5-硫代氨甲酰苯甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-硝基-5-硫代氨甲酰苯甲酸 has 2 hydrogen bond donor(s) and 6 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-硝基-5-硫代氨甲酰苯甲酸?
The CAS number of 2-硝基-5-硫代氨甲酰苯甲酸 is 137091-49-7.
What is the molecular formula of 2-硝基-5-硫代氨甲酰苯甲酸?
The molecular formula of 2-硝基-5-硫代氨甲酰苯甲酸 is C8H6N2O5S.
What is the molecular weight of 2-硝基-5-硫代氨甲酰苯甲酸?
The molecular weight of 2-硝基-5-硫代氨甲酰苯甲酸 is 242.00 g/mol.
Where can I buy 2-硝基-5-硫代氨甲酰苯甲酸?
You can request a quote for 2-硝基-5-硫代氨甲酰苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基-5-硫代氨甲酰苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基-5-硫代氨甲酰苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.