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111631-31-3 | 4(1H)-Quinazolinone, 3-ethyl-2,3-dihydro-6-iodo-2-thioxo-
CAS No: 111631-31-3 Catalog No: AG0079EL MDL No:
Product Description
Catalog Number:
AG0079EL
Chemical Name:
4(1H)-Quinazolinone, 3-ethyl-2,3-dihydro-6-iodo-2-thioxo-
CAS Number:
111631-31-3
Molecular Formula:
C10H9IN2OS
Molecular Weight:
332.1607
IUPAC Name:
3-ethyl-6-iodo-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C10H9IN2OS/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5H,2H2,1H3,(H,12,15)
InChI Key:
SJQXHVYZTGTKQG-UHFFFAOYSA-N
SMILES:
CCn1c(=S)[nH]c2c(c1=O)cc(cc2)I
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.159g/mol
Monoisotopic Mass:
331.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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