915920-19-3 Purity
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Specification
The molecular formula of CHEMBRDG-BB 4022158 is C9H12N2OS.
The molecular weight of CHEMBRDG-BB 4022158 is 196.27 g/mol.
The IUPAC name of CHEMBRDG-BB 4022158 is 2-butan-2-ylsulfanylpyrimidine-5-carbaldehyde.
The InChI of CHEMBRDG-BB 4022158 is InChI=1S/C9H12N2OS/c1-3-7(2)13-9-10-4-8(6-12)5-11-9/h4-7H,3H2,1-2H3.
The InChIKey of CHEMBRDG-BB 4022158 is NPHSORTVIACXRD-UHFFFAOYSA-N.
The Canonical SMILES of CHEMBRDG-BB 4022158 is CCC(C)SC1=NC=C(C=N1)C=O.
The CAS number of CHEMBRDG-BB 4022158 is 915920-24-0.
The XLogP3-AA value of CHEMBRDG-BB 4022158 is 1.8.
CHEMBRDG-BB 4022158 has 4 hydrogen bond acceptors.
No, CHEMBRDG-BB 4022158 does not have any defined bond stereocenter count.