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Home > Indoles and Oxindole > 13637-41-7
13637-41-7 | 2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl-
CAS No: 13637-41-7 Catalog No: AG0011SW MDL No:
Product Description
Catalog Number:
AG0011SW
Chemical Name:
2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl-
CAS Number:
13637-41-7
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
IUPAC Name:
1,3-dimethyl-3H-indole-2-thione
InChI:
InChI=1S/C10H11NS/c1-7-8-5-3-4-6-9(8)11(2)10(7)12/h3-7H,1-2H3
InChI Key:
TYFJUZPJHYOUES-UHFFFAOYSA-N
SMILES:
S=C1N(C)c2c(C1C)cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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