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Home > Indoles and Oxindole > 33333-57-2
33333-57-2 | 1H-Indole, 3-(2-thienyl)-
CAS No: 33333-57-2 Catalog No: AG007G7M MDL No:
Product Description
Catalog Number:
AG007G7M
Chemical Name:
1H-Indole, 3-(2-thienyl)-
CAS Number:
33333-57-2
Molecular Formula:
C12H9NS
Molecular Weight:
199.2716
IUPAC Name:
3-thiophen-2-yl-1H-indole
InChI:
InChI=1S/C12H9NS/c1-2-5-11-9(4-1)10(8-13-11)12-6-3-7-14-12/h1-8,13H
InChI Key:
FNBOXQYFMYXVDU-UHFFFAOYSA-N
SMILES:
c1csc(c1)c1c[nH]c2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.271g/mol
Monoisotopic Mass:
199.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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