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Home > Indoles and Oxindole > 114462-73-6
114462-73-6 | 1H-Indole, 2,3-dihydro-1-[(methylthio)methyl]-
CAS No: 114462-73-6 Catalog No: AG000EH1 MDL No:
Product Description
Catalog Number:
AG000EH1
Chemical Name:
1H-Indole, 2,3-dihydro-1-[(methylthio)methyl]-
CAS Number:
114462-73-6
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
IUPAC Name:
1-(methylsulfanylmethyl)-2,3-dihydroindole
InChI:
InChI=1S/C10H13NS/c1-12-8-11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-8H2,1H3
InChI Key:
WBOGAZCAGUUAFM-UHFFFAOYSA-N
SMILES:
CSCN1CCc2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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