2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-
TL;DR: 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- (CAS 7672-94-8) is a chemical compound with molecular formula C8H4ClNO2S and molecular weight 212.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-sulfanylidene-1,3-benzoxazin-4-one
Also Known As: 6-Chloro-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione, 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-, 6-chloro-2-sulfanylidene-1,3-benzoxazin-4-one, 6-Chloro-2-thio-2H-1,3-benzoxazine-2,4 -dione, 6-Chloro-2-sulfanylidene-2,3-dihydro-4H-1,3-benzoxazin-4-one
| Molecular Formula | C8H4ClNO2S |
|---|---|
| Molecular Weight | 212.97 g/mol |
| LogP | 2.50399 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.96513 |
| Heavy Atoms | 13 |
| Complexity | 572.10114 |
Chemical Identifiers
| CAS Number | 7672-94-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)NC(=S)O2 |
Product Overview
2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- (CAS 7672-94-8), with molecular formula C8H4ClNO2S and molecular weight 212.97 g/mol. IUPAC: 6-chloro-2-sulfanylidene-1,3-benzoxazin-4-one.
Chemical Property Profile of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-
Property Insights of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-
The XLogP value of 2.50399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-. With a topological polar surface area (TPSA) of 46.0 Ų, 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- 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
Frequently Asked Questions
What is the CAS number of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-?
The CAS number of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- is 7672-94-8.
What is the molecular formula of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-?
The molecular formula of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- is C8H4ClNO2S.
What is the molecular weight of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-?
The molecular weight of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- is 212.97 g/mol.
Where can I buy 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-?
You can request a quote for 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.