(3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one
TL;DR: (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one (CAS 1195238-85-7) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.0041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitroso-1-benzothiophen-2-ol
Also Known As: Benzo[b]thiophene-2-ol, 3-nitroso-, 3-hydroxyimino-1-benzothiophen-2-one, 2,3-Dihydro-3- benzo[b]thiophen-2-one, (3Z)-3-hydroxyimino-1-benzothiophen-2-one, (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one
Technical Specifications
| Molecular Formula | C8H5NO2S |
| Molecular Weight | 179.0041 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0041 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)O)N=O |
| InChIKey | MRDBAXGQXUHVGA-UHFFFAOYSA-N |
Chemical Property Profile of (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one
Property Insights of (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one. Following Lipinski's Rule of Five, (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one 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 (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one?
The CAS number of (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one is 1195238-85-7.
What is the molecular formula of (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one?
The molecular formula of (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one is C8H5NO2S.
What is the molecular weight of (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one?
The molecular weight of (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one is 179.0041 g/mol.
Where can I buy (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one?
You can request a quote for (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for (3Z)-3-(Hydroxyimino)-1-benzothiophen-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.