2-Nitro-1-benzothiophen-3-ol
TL;DR: 2-Nitro-1-benzothiophen-3-ol (CAS 10133-47-8) is a chemical compound with molecular formula C8H5NO3S and molecular weight 194.99901 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-1-benzothiophen-3-ol
Also Known As: 2-nitro-1-benzothiophen-3-ol, 2-nitro-1-benzothiophene-3-ol, Benzo[b]thiophene-3-ol, 2-nitro-, (+/-)-4a,9a:8a,10a-diepoxy-1,4,4a,8,8a,9,9a,10,10a-decahydroanthracene, NSC 170718
Technical Specifications
| Molecular Formula | C8H5NO3S |
| Molecular Weight | 194.99901 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.99901 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])O |
| InChIKey | BDCNWIYIRJUKAB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitro-1-benzothiophen-3-ol
Property Insights of 2-Nitro-1-benzothiophen-3-ol
The XLogP value of 3.3 indicates that 2-Nitro-1-benzothiophen-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-1-benzothiophen-3-ol. Following Lipinski's Rule of Five, 2-Nitro-1-benzothiophen-3-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Nitro-1-benzothiophen-3-ol?
The CAS number of 2-Nitro-1-benzothiophen-3-ol is 10133-47-8.
What is the molecular formula of 2-Nitro-1-benzothiophen-3-ol?
The molecular formula of 2-Nitro-1-benzothiophen-3-ol is C8H5NO3S.
What is the molecular weight of 2-Nitro-1-benzothiophen-3-ol?
The molecular weight of 2-Nitro-1-benzothiophen-3-ol is 194.99901 g/mol.
Where can I buy 2-Nitro-1-benzothiophen-3-ol?
You can request a quote for 2-Nitro-1-benzothiophen-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-1-benzothiophen-3-ol?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-1-benzothiophen-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.