| CAS Number | 733030-59-6 |
| Catalog Number | AG019IUN |
| Chemical Name | 6-chloro-3-(2-methylpropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 6-chloro-3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one |
| InChI | InChI=1S/C12H13ClN2OS/c1-7(2)6-15-11(16)9-5-8(13)3-4-10(9)14-12(15)17/h3-5,7H,6H2,1-2H3,(H,14,17) |
| InChI Key | QPLZQPVRVVLOFO-UHFFFAOYSA-N |
| MDL Number | MFCD04635830 |
| Molecular Formula | C12H13ClN2OS |
| Molecular Weight | 268.7624 |
| SMILES | CC(CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1S)C |
| Synonyms | 6-chloro-3-(2-methylpropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one,
733030-59-6,
6-chloro-3-isobutyl-2-mercaptoquinazolin-4(3H)-one,
AC1Q1PLI,
AC1M6O09,
CTK6A8309,
AKOS005198621,
ZINC100435634,
MCULE-9512249777,
NE12977,
EN300-07775,
Z56960179,
6-chloro-3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one,
ZINC03335939,
CID2452092,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.759g/mol |
| Monoisotopic Mass | 268.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number