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Home > Indoles and Oxindole > 827044-44-0
827044-44-0 | 1H-Indole, 4-[(5-iodo-2-pyridinyl)thio]-
CAS No: 827044-44-0 Catalog No: AG0059U1 MDL No:
Product Description
Catalog Number:
AG0059U1
Chemical Name:
1H-Indole, 4-[(5-iodo-2-pyridinyl)thio]-
CAS Number:
827044-44-0
Molecular Formula:
C13H9IN2S
Molecular Weight:
352.1934
IUPAC Name:
4-(5-iodopyridin-2-yl)sulfanyl-1H-indole
InChI:
InChI=1S/C13H9IN2S/c14-9-4-5-13(16-8-9)17-12-3-1-2-11-10(12)6-7-15-11/h1-8,15H
InChI Key:
VUUHZEDNKBPZAW-UHFFFAOYSA-N
SMILES:
Ic1ccc(nc1)Sc1cccc2c1cc[nH]2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.953g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.193g/mol
Monoisotopic Mass:
351.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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