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113866-44-7 | 2-(Methylthio)-1H-indole-3-carbaldehyde
CAS No: 113866-44-7 Catalog No: AG009UJP MDL No:
Product Description
Catalog Number:
AG009UJP
Chemical Name:
2-(Methylthio)-1H-indole-3-carbaldehyde
CAS Number:
113866-44-7
IUPAC Name:
2-methylsulfanyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H9NOS/c1-13-10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3
InChI Key:
QSSMEVWVRIEBSR-UHFFFAOYSA-N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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