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Home > Aldehydes > 1874038-61-5
1874038-61-5 | 2-[(4-methylquinolin-2-yl)sulfanyl]acetaldehyde
CAS No: 1874038-61-5 Catalog No: AG01BIU6 MDL No:MFCD30735716
Product Description
Catalog Number:
AG01BIU6
Chemical Name:
2-[(4-methylquinolin-2-yl)sulfanyl]acetaldehyde
CAS Number:
1874038-61-5
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD30735716
IUPAC Name:
2-(4-methylquinolin-2-yl)sulfanylacetaldehyde
InChI:
InChI=1S/C12H11NOS/c1-9-8-12(15-7-6-14)13-11-5-3-2-4-10(9)11/h2-6,8H,7H2,1H3
InChI Key:
BHKZHHLVCXMMDL-UHFFFAOYSA-N
SMILES:
O=CCSc1cc(C)c2c(n1)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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