CAS
916454-59-6 Purity
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916454-59-6 Purity
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Ys121
CAS
916482-17-2
Catalog Number
ACM916482172
Category
Other Products
Molecular Weight
407.957340 [g/mol]
Molecular Formula
C20H26ClN3O2S
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Specification
Synonyms
CHEMBL518038, MolPort-009-019-669, Pirinixic acid-based compound, 6a, YS121, 916482-17-2
IUPAC Name
2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyloctanoic acid
Canonical SMILES
CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C
InChI Key
HVJBWTVMRIOTEL-UHFFFAOYSA-N
Exact Mass
407.14300
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of Ys121?
The molecular formula of Ys121 is C20H26ClN3O2S.
What is the molecular weight of Ys121?
The molecular weight of Ys121 is 408.0 g/mol.
When was Ys121 created?
Ys121 was created on June 23, 2008.
What is the IUPAC Name of Ys121?
The IUPAC Name of Ys121 is 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyloctanoic acid.
What is the Canonical SMILES of Ys121?
The Canonical SMILES of Ys121 is CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C.
What is the InChIKey of Ys121?
The InChIKey of Ys121 HVJBWTVMRIOTEL-UHFFFAOYSA-N.
What is the XLogP3-AA value of Ys121?
The XLogP3-AA value of Ys121 is 7.1.
How many hydrogen bond donor counts does Ys121 have?
Ys121 has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Ys121 have?
Ys121 has 6 hydrogen bond acceptor counts.
Is the compound Ys121 canonicalized?
Yes, the compound Ys121 is canonicalized.
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916488-42-1 Purity
96%
916488-42-1 Purity
96%
