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Home > Aldehydes > 885275-17-2
885275-17-2 | 2-(Isopropylthio)pyrimidine-4-carbaldehyde
CAS No: 885275-17-2 Catalog No: AG0047KE MDL No:MFCD04115115
Product Description
Catalog Number:
AG0047KE
Chemical Name:
2-(Isopropylthio)pyrimidine-4-carbaldehyde
CAS Number:
885275-17-2
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD04115115
IUPAC Name:
2-propan-2-ylsulfanylpyrimidine-4-carbaldehyde
InChI:
InChI=1S/C8H10N2OS/c1-6(2)12-8-9-4-3-7(5-11)10-8/h3-6H,1-2H3
InChI Key:
APCPUTOYVGLCKK-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(n1)SC(C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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