1,4-Naphthoquinone, 2-benzylthio-3-chloro-
TL;DR: 1,4-Naphthoquinone, 2-benzylthio-3-chloro- (CAS 73816-81-6) is a chemical compound with molecular formula C17H11ClO2S and molecular weight 314.0168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanyl-3-chloronaphthalene-1,4-dione
Also Known As: 2-Benzylthio-3-chloro-1,4-naphthoquinone, 1, 2-benzylthio-3-chloro-, 1,4-NAPHTHOQUINONE, 2-BENZYLTHIO-3-CHLORO-, 2-Chloro-3-benzylmercapto-1,4-naphthoquinone, 1, 2-chloro-3-[(phenylmethyl)thio]-
Technical Specifications
| Molecular Formula | C17H11ClO2S |
| Molecular Weight | 314.0168 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0168 Da |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | MZJPVYZIMKYPCN-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Naphthoquinone, 2-benzylthio-3-chloro-
Property Insights of 1,4-Naphthoquinone, 2-benzylthio-3-chloro-
The XLogP value of 4.5 indicates that 1,4-Naphthoquinone, 2-benzylthio-3-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 1,4-Naphthoquinone, 2-benzylthio-3-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthoquinone, 2-benzylthio-3-chloro- has 0 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 1,4-Naphthoquinone, 2-benzylthio-3-chloro-?
The CAS number of 1,4-Naphthoquinone, 2-benzylthio-3-chloro- is 73816-81-6.
What is the molecular formula of 1,4-Naphthoquinone, 2-benzylthio-3-chloro-?
The molecular formula of 1,4-Naphthoquinone, 2-benzylthio-3-chloro- is C17H11ClO2S.
What is the molecular weight of 1,4-Naphthoquinone, 2-benzylthio-3-chloro-?
The molecular weight of 1,4-Naphthoquinone, 2-benzylthio-3-chloro- is 314.0168 g/mol.
Where can I buy 1,4-Naphthoquinone, 2-benzylthio-3-chloro-?
You can request a quote for 1,4-Naphthoquinone, 2-benzylthio-3-chloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Naphthoquinone, 2-benzylthio-3-chloro-?
Yes, CoreyChem provides custom synthesis services for 1,4-Naphthoquinone, 2-benzylthio-3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.