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200938-58-5 | 4(1H)-Quinazolinone, 2,3-dihydro-6-iodo-3-propyl-2-thioxo-
CAS No: 200938-58-5 Catalog No: AG002D3Q MDL No:
Product Description
Catalog Number:
AG002D3Q
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-6-iodo-3-propyl-2-thioxo-
CAS Number:
200938-58-5
Molecular Formula:
C11H11IN2OS
Molecular Weight:
346.1873
IUPAC Name:
6-iodo-3-propyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C11H11IN2OS/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h3-4,6H,2,5H2,1H3,(H,13,16)
InChI Key:
DUIXAHCKGRNHJP-UHFFFAOYSA-N
SMILES:
CCCn1c(=S)[nH]c2c(c1=O)cc(cc2)I
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.186g/mol
Monoisotopic Mass:
345.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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