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Home > Indoles and Oxindole > 110994-31-5
110994-31-5 | 1,5-dimethyl-2,3-dihydro-1H-indole-2-thione
CAS No: 110994-31-5 Catalog No: AG01AIV6 MDL No:MFCD19381938
Product Description
Catalog Number:
AG01AIV6
Chemical Name:
1,5-dimethyl-2,3-dihydro-1H-indole-2-thione
CAS Number:
110994-31-5
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD19381938
IUPAC Name:
1,5-dimethyl-3H-indole-2-thione
InChI:
InChI=1S/C10H11NS/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3
InChI Key:
WSFKMMIGMRNGOX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CC(=S)N2C
Properties
Complexity:
202
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:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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