3,4-dihydro-1-benzothiepin-5(2H)-one oxime
TL;DR: 3,4-dihydro-1-benzothiepin-5(2H)-one oxime (CAS 1374985-17-7) is a chemical compound with molecular formula C10H11NOS and molecular weight 193.05614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(NE)-N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
Also Known As: 3,4-dihydro-1-benzothiepin-5(2H)-one oxime, 5-(hydroxyimino)-2H,3H,4H-benzo[f]thiepin, (5E)-N-hydroxy-3,4-dihydro-1-benzothiepin-5(2H)-imine, 1-Benzothiepin-5(2H)-one, 3,4-dihydro-, oxime, (5E)-, (NE)-N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
Technical Specifications
| Molecular Formula | C10H11NOS |
| Molecular Weight | 193.05614 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.05614 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | C1C/C(=N\O)/C2=CC=CC=C2SC1 |
| InChIKey | VFJJDUKSHZJVKP-PKNBQFBNSA-N |
Chemical Property Profile of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime
Property Insights of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-1-benzothiepin-5(2H)-one oxime. With a topological polar surface area (TPSA) of 57.9 Ų, 3,4-dihydro-1-benzothiepin-5(2H)-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-1-benzothiepin-5(2H)-one oxime 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
What is the CAS number of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime?
The CAS number of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime is 1374985-17-7.
What is the molecular formula of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime?
The molecular formula of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime is C10H11NOS.
What is the molecular weight of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime?
The molecular weight of 3,4-dihydro-1-benzothiepin-5(2H)-one oxime is 193.05614 g/mol.
Where can I buy 3,4-dihydro-1-benzothiepin-5(2H)-one oxime?
You can request a quote for 3,4-dihydro-1-benzothiepin-5(2H)-one oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-dihydro-1-benzothiepin-5(2H)-one oxime?
Yes, CoreyChem provides custom synthesis services for 3,4-dihydro-1-benzothiepin-5(2H)-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.