CAS
98-62-4 Purity
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98-62-4 Purity
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3-Chloro-2-pyridyl methyl sulfide
CAS
98626-97-2
Catalog Number
ACM98626972
Category
Other Products
Molecular Weight
159.639
Molecular Formula
C6H6ClNS
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Specification
Synonyms
3-Chloro-2-pyridyl methyl sulfide;2-Methylthio-3-chloropyridine
IUPAC Name
3-chloro-2-methylsulfanylpyridine
Canonical SMILES
CSC1=C(C=CC=N1)Cl
InChI Key
WGGXTBMWWROJGF-UHFFFAOYSA-N
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Chloro-2-pyridyl methyl sulfide?
The molecular formula is C6H6ClNS.
What is the molecular weight of 3-Chloro-2-pyridyl methyl sulfide?
The molecular weight is 159.64 g/mol.
What is the IUPAC name of 3-Chloro-2-pyridyl methyl sulfide?
The IUPAC name is 3-chloro-2-methylsulfanylpyridine.
What is the InChI of 3-Chloro-2-pyridyl methyl sulfide?
The InChI is InChI=1S/C6H6ClNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3.
What is the InChIKey of 3-Chloro-2-pyridyl methyl sulfide?
The InChIKey is WGGXTBMWWROJGF-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Chloro-2-pyridyl methyl sulfide?
The canonical SMILES is CSC1=C(C=CC=N1)Cl.
What is the CAS number of 3-Chloro-2-pyridyl methyl sulfide?
The CAS number is 98626-97-2.
What is the XLogP3-AA value of 3-Chloro-2-pyridyl methyl sulfide?
The XLogP3-AA value is 2.3.
How many hydrogen bond acceptors does 3-Chloro-2-pyridyl methyl sulfide have?
It has 2 hydrogen bond acceptors.
Is 3-Chloro-2-pyridyl methyl sulfide a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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