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18741-38-3 | 6-iodo-2-mercapto-3-phenylquinazolin-4(3H)-one
CAS No: 18741-38-3 Catalog No: AG00JHI4 MDL No:MFCD01204593
Product Description
Catalog Number:
AG00JHI4
Chemical Name:
6-iodo-2-mercapto-3-phenylquinazolin-4(3H)-one
CAS Number:
18741-38-3
Molecular Formula:
C14H9IN2OS
Molecular Weight:
380.2035
MDL Number:
MFCD01204593
IUPAC Name:
6-iodo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H9IN2OS/c15-9-6-7-12-11(8-9)13(18)17(14(19)16-12)10-4-2-1-3-5-10/h1-8H,(H,16,19)
InChI Key:
ANCYMQMGKDRCGL-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c(=O)n(c(n2)S)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.948g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.203g/mol
Monoisotopic Mass:
379.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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