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1528306-91-3 | 2-(1H-INDOL-2-YLSULFANYL)ACETALDEHYDE
CAS No: 1528306-91-3 Catalog No: AG01BIU7 MDL No:MFCD23826641
Product Description
Catalog Number:
AG01BIU7
Chemical Name:
2-(1H-INDOL-2-YLSULFANYL)ACETALDEHYDE
CAS Number:
1528306-91-3
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD23826641
IUPAC Name:
2-(1H-indol-2-ylsulfanyl)acetaldehyde
InChI:
InChI=1S/C10H9NOS/c12-5-6-13-10-7-8-3-1-2-4-9(8)11-10/h1-5,7,11H,6H2
InChI Key:
YXFXYTSTHCNLTO-UHFFFAOYSA-N
SMILES:
O=CCSc1cc2c([nH]1)cccc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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