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1247812-09-4 | 2-(QUINAZOLIN-4-YLSULFANYL)ACETALDEHYDE
CAS No: 1247812-09-4 Catalog No: AG01BIU0 MDL No:MFCD16096720
Product Description
Catalog Number:
AG01BIU0
Chemical Name:
2-(QUINAZOLIN-4-YLSULFANYL)ACETALDEHYDE
CAS Number:
1247812-09-4
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
MDL Number:
MFCD16096720
IUPAC Name:
2-quinazolin-4-ylsulfanylacetaldehyde
InChI:
InChI=1S/C10H8N2OS/c13-5-6-14-10-8-3-1-2-4-9(8)11-7-12-10/h1-5,7H,6H2
InChI Key:
TWHCCVWZAJIEAH-UHFFFAOYSA-N
SMILES:
O=CCSc1ncnc2c1cccc2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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