![2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine structure](/static/products/6010/6010-55-5.webp)
2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine
TL;DR: 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine (CAS 6010-55-5) is a chemical compound with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
Also Known As: 2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine, BIM-0040520.P001, 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine, 2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-amine, AN-988/14197006
| Molecular Formula | C14H11N3O2S2 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 4.079 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.02927 |
| Heavy Atoms | 21 |
| Complexity | 799.5893 |
Chemical Identifiers
| CAS Number | 6010-55-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)[N+](=O)[O-] |
Product Overview
2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine (CAS 6010-55-5), with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol. IUPAC: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine.
Chemical Property Profile of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine
Property Insights of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine
The XLogP value of 4.079 indicates that 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine. Following Lipinski's Rule of Five, 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine has 1 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-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine?
The CAS number of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine is 6010-55-5.
What is the molecular formula of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine?
The molecular formula of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine is C14H11N3O2S2.
What is the molecular weight of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine?
The molecular weight of 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine is 317.03 g/mol.
Where can I buy 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine?
You can request a quote for 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.