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70447-24-4 | 1-ethylindole-3-thiol
CAS No: 70447-24-4 Catalog No: AG005IWF MDL No:
Product Description
Catalog Number:
AG005IWF
Chemical Name:
1-ethylindole-3-thiol
CAS Number:
70447-24-4
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
IUPAC Name:
1-ethylindole-3-thiol
InChI:
InChI=1S/C10H11NS/c1-2-11-7-10(12)8-5-3-4-6-9(8)11/h3-7,12H,2H2,1H3
InChI Key:
BGJGSYKIRQMBSV-UHFFFAOYSA-N
SMILES:
CCn1cc(c2c1cccc2)S
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
5.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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