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Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione
TL;DR: Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione (CAS 7501-62-4) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(morpholin-4-yl)methanethione
Also Known As: 1,3-benzodioxol-5-yl(morpholin-4-yl)methanethione, Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione, 4-(1,3-benzodioxol-5-ylcarbothioyl)morpholine, 4-(3,4-Methylenedioxythiobenzoyl)morpholine, (1,3-Benzodioxole-5-yl)morpholino thioketone
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 7501-62-4 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC3=C(C=C2)OCO3 |
| InChIKey | FMLOSRXWOQMQDQ-UHFFFAOYSA-N |
Product Overview
Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione (CAS 7501-62-4), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 1,3-benzodioxol-5-yl(morpholin-4-yl)methanethione.
Chemical Property Profile of Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione
Property Insights of Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione has 0 hydrogen bond donor(s) and 4 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 Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione?
The CAS number of Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione is 7501-62-4.
What is the molecular formula of Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione?
The molecular formula of Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione is C12H13NO3S.
What is the molecular weight of Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione?
The molecular weight of Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione is 251.06 g/mol.
Where can I buy Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione?
You can request a quote for Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.