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Home > Aldehydes > 1858597-73-5
1858597-73-5 | 2-[3-(methylsulfanyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehyde
CAS No: 1858597-73-5 Catalog No: AG01C8T4 MDL No:MFCD31443248
Product Description
Catalog Number:
AG01C8T4
Chemical Name:
2-[3-(methylsulfanyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehyde
CAS Number:
1858597-73-5
Molecular Formula:
C10H13N3OS
Molecular Weight:
223.2947
MDL Number:
MFCD31443248
IUPAC Name:
2-(3-methylsulfanylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C10H13N3OS/c1-15-9-2-3-13(6-9)10-11-4-8(7-14)5-12-10/h4-5,7,9H,2-3,6H2,1H3
InChI Key:
YNRSWCHBASJDJC-UHFFFAOYSA-N
SMILES:
CSC1CCN(C1)c1ncc(cn1)C=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.294g/mol
Monoisotopic Mass:
223.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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