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Home > Indoles and Oxindole > 80412-21-1
80412-21-1 | Thiopyrano[2,3-b]indol-4(9H)-one, 2,3-dihydro-
CAS No: 80412-21-1 Catalog No: AG005LZB MDL No:
Product Description
Catalog Number:
AG005LZB
Chemical Name:
Thiopyrano[2,3-b]indol-4(9H)-one, 2,3-dihydro-
CAS Number:
80412-21-1
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
IUPAC Name:
3,9-dihydro-2H-thiopyrano[2,3-b]indol-4-one
InChI:
InChI=1S/C11H9NOS/c13-9-5-6-14-11-10(9)7-3-1-2-4-8(7)12-11/h1-4,12H,5-6H2
InChI Key:
FGIKTLMIDUWMJD-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c1c1ccccc1[nH]2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.259g/mol
Monoisotopic Mass:
203.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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