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Home > Indoles and Oxindole > 162100-54-1
162100-54-1 | 5-(3-THIENYL)INDOLINE
CAS No: 162100-54-1 Catalog No: AG01BNPD MDL No:MFCD06802325
Product Description
Catalog Number:
AG01BNPD
Chemical Name:
5-(3-THIENYL)INDOLINE
CAS Number:
162100-54-1
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
MDL Number:
MFCD06802325
IUPAC Name:
5-thiophen-3-yl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H11NS/c1-2-12-10(3-5-13-12)7-9(1)11-4-6-14-8-11/h1-2,4,6-8,13H,3,5H2
InChI Key:
LYKDVFKICMSAHM-UHFFFAOYSA-N
SMILES:
c1scc(c1)c1ccc2c(c1)CCN2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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