| CAS Number | 1007191-88-9 |
| Catalog Number | AG019I50 |
| Chemical Name | Sodium 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-2-thiolate |
| IUPAC Name | sodium;3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazoline-2-thiolate |
| InChI | InChI=1S/C17H16N2O2S.Na/c1-21-13-8-6-12(7-9-13)10-11-19-16(20)14-4-2-3-5-15(14)18-17(19)22;/h2-9H,10-11H2,1H3,(H,18,22);/q;+1/p-1 |
| InChI Key | GRYUFENTQSZCNM-UHFFFAOYSA-M |
| MDL Number | MFCD07308451 |
| Molecular Formula | C17H15N2NaO2S |
| Molecular Weight | 334.368 |
| SMILES | [Na+].COC1=CC=C(CCN2C(=O)C3=C(C=CC=C3)N=C2[S-])C=C1 |
| Synonyms | sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide,
1007191-88-9,
sodium 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-2-thiolate,
AC1MXYEU,
AC1Q1VSK,
MLS001176158,
CHEMBL1483432,
CTK7A3706,
HMS2873O03,
NE17426,
SMR000587864,
EN300-05652,
sodium 3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazoline-2-thiolate,
CID3773368,
Sodium 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-quinazoline-2-thiolate,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.369g/mol |
| Monoisotopic Mass | 334.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number