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Home > Aldehydes > 827044-47-3
827044-47-3 | 1H-Indole-3-carboxaldehyde, 4-[(5-iodo-2-pyridinyl)thio]-
CAS No: 827044-47-3 Catalog No: AG0059U0 MDL No:
Product Description
Catalog Number:
AG0059U0
Chemical Name:
1H-Indole-3-carboxaldehyde, 4-[(5-iodo-2-pyridinyl)thio]-
CAS Number:
827044-47-3
Molecular Formula:
C14H9IN2OS
Molecular Weight:
380.2035
IUPAC Name:
4-(5-iodopyridin-2-yl)sulfanyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C14H9IN2OS/c15-10-4-5-13(17-7-10)19-12-3-1-2-11-14(12)9(8-18)6-16-11/h1-8,16H
InChI Key:
HZVCURLLRDBAFQ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(ccc2)Sc1ccc(cn1)I
Properties
Complexity:
331
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.203g/mol
Monoisotopic Mass:
379.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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