CAS
909033-40-5 Purity
96%
909033-40-5 Purity
96%
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2-(Methylthio)pyrimidine-5-carbaldehyde
CAS
90905-31-0
Catalog Number
ACM90905310
Category
Other Products
Molecular Weight
154.19
Molecular Formula
C6H6N2OS
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Specification
Synonyms
ZINC04553869, ZERO/009841, CID3151865, 2-(Methylthio)pyrimidine-5-carbaldehyde, BAS 05215236, 2-Methylsulfanyl-pyrimidine-5-carbaldehyde, 90905-31-0
IUPAC Name
2-methylsulfanylpyrimidine-5-carbaldehyde
InChI Key
OERITKQWELOJBM-UHFFFAOYSA-N
Boiling Point
301.2ºC at 760mmHg
Flash Point
136ºC
Density
1.29g/cm³
Exact Mass
154.02000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-(Methylthio)pyrimidine-5-carbaldehyde?
The molecular formula is C6H6N2OS.
What is the molecular weight of 2-(Methylthio)pyrimidine-5-carbaldehyde?
The molecular weight is 154.19 g/mol.
What is the IUPAC name of 2-(Methylthio)pyrimidine-5-carbaldehyde?
The IUPAC name is 2-methylsulfanylpyrimidine-5-carbaldehyde.
What is the InChIKey of 2-(Methylthio)pyrimidine-5-carbaldehyde?
The InChIKey is OERITKQWELOJBM-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-(Methylthio)pyrimidine-5-carbaldehyde?
The Canonical SMILES is CSC1=NC=C(C=N1)C=O.
What is the CAS number for 2-(Methylthio)pyrimidine-5-carbaldehyde?
The CAS number is 90905-31-0.
How many hydrogen bond donor counts does 2-(Methylthio)pyrimidine-5-carbaldehyde have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 2-(Methylthio)pyrimidine-5-carbaldehyde have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-(Methylthio)pyrimidine-5-carbaldehyde?
The topological polar surface area is 68.2 Ų.
Is 2-(Methylthio)pyrimidine-5-carbaldehyde a canonicalized compound?
Yes, it is a canonicalized compound.
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