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823195-54-6 | 4(1H)-Quinazolinethione, 3-(4-ethylphenyl)-2,3-dihydro-2,2-dimethyl-
CAS No: 823195-54-6 Catalog No: AG00551U MDL No:
Product Description
Catalog Number:
AG00551U
Chemical Name:
4(1H)-Quinazolinethione, 3-(4-ethylphenyl)-2,3-dihydro-2,2-dimethyl-
CAS Number:
823195-54-6
Molecular Formula:
C18H20N2S
Molecular Weight:
296.4298
IUPAC Name:
3-(4-ethylphenyl)-2,2-dimethyl-1H-quinazoline-4-thione
InChI:
InChI=1S/C18H20N2S/c1-4-13-9-11-14(12-10-13)20-17(21)15-7-5-6-8-16(15)19-18(20,2)3/h5-12,19H,4H2,1-3H3
InChI Key:
DMNAUAIUCMOVPK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)N1C(=S)c2ccccc2NC1(C)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.432g/mol
Monoisotopic Mass:
296.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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