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65533-99-5 | Azepino[2,1-b]quinazoline-12(6H)-thione, 7,8,9,10-tetrahydro-2-iodo-
CAS No: 65533-99-5 Catalog No: AG006PGF MDL No:
Product Description
Catalog Number:
AG006PGF
Chemical Name:
Azepino[2,1-b]quinazoline-12(6H)-thione, 7,8,9,10-tetrahydro-2-iodo-
CAS Number:
65533-99-5
Molecular Formula:
C13H13IN2S
Molecular Weight:
356.2252
IUPAC Name:
2-iodo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-12-thione
InChI:
InChI=1S/C13H13IN2S/c14-9-5-6-11-10(8-9)13(17)16-7-3-1-2-4-12(16)15-11/h5-6,8H,1-4,7H2
InChI Key:
XDWKTTSANTYKFD-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c(=S)n1c(n2)CCCCC1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.225g/mol
Monoisotopic Mass:
355.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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