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74360-65-9 | 2(3H)-Indolizinone, 3-[mercapto(methylthio)methylene]-1-phenyl-
CAS No: 74360-65-9 Catalog No: AG005C1U MDL No:
Product Description
Catalog Number:
AG005C1U
Chemical Name:
2(3H)-Indolizinone, 3-[mercapto(methylthio)methylene]-1-phenyl-
CAS Number:
74360-65-9
Molecular Formula:
C16H13NOS2
Molecular Weight:
299.4105
IUPAC Name:
methyl 2-hydroxy-1-phenylindolizine-3-carbodithioate
InChI:
InChI=1S/C16H13NOS2/c1-20-16(19)14-15(18)13(11-7-3-2-4-8-11)12-9-5-6-10-17(12)14/h2-10,18H,1H3
InChI Key:
JONIAYCRROSVEC-UHFFFAOYSA-N
SMILES:
CSC(=C1C(=O)C(=c2n1cccc2)c1ccccc1)S
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.406g/mol
Monoisotopic Mass:
299.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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