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Home > Aldehydes > 1152558-33-2
1152558-33-2 | 1,3-DIMETHYL-5-(THIOMORPHOLIN-4-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 1152558-33-2 Catalog No: AG01C8O5 MDL No:MFCD10691718
Product Description
Catalog Number:
AG01C8O5
Chemical Name:
1,3-DIMETHYL-5-(THIOMORPHOLIN-4-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
1152558-33-2
Molecular Formula:
C10H15N3OS
Molecular Weight:
225.3106
MDL Number:
MFCD10691718
IUPAC Name:
1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H15N3OS/c1-8-9(7-14)10(12(2)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3
InChI Key:
BXGLYTUKTXDYRM-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CCSCC1)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.31g/mol
Monoisotopic Mass:
225.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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