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2,3-Dichloro-4- (methylthio) pyridine

CAT: 0127-OR1092044-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1092044-01Size:250 mg
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CAS Number
35114-45-5
MDL Number
MFCD26127745
Purity
97%
Smiles
C1cnc (c (c1SC) Cl) Cl

Chemical Information

2,3-Dichloro-4-(methylthio)pyridine
CAS Number35114-45-5
PubChem CID97289411
IUPAC Name2,3-dichloro-4-methylsulfanylpyridine
Molecular FormulaC6H5Cl2NS
Molecular Weight194.08
XLogP3
Topological Polar Surface Area38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity112
SMILES
CSC1=C(C(=NC=C1)Cl)Cl
InChI
InChI=1S/C6H5Cl2NS/c1-10-4-2-3-9-6(8)5(4)7/h2-3H,1H3
InChIKey
WZPIFLAJPMSHMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dichloro-4-(methylthio)pyridine
CAS: 35114-45-5
CID: 97289411
Formula: C6H5Cl2NS
MW: 194.08
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.08
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass192.9519757
Monoisotopic Mass192.9519757
Topological Polar Surface Area38.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-B101306-25MG4-(methylthio)pyridine
WCA50683-012-Chloro-4- (methylthio) pyridine
sc-2298652- (Methylthio) pyridine
BCA933773-Bromo-2- (methylthio) pyridine
JKB86317-012-Bromo-3- (methylthio) pyridine
DAA145772- ((Methylthio) methyl) pyridine
sc-2593082- (Methylthio) pyridine-3-carbonyl chloride
sc-2653022- (Methylthio) pyridine-3-boronic acid
sc-2541022- (Methylthio) pyridine-3-carboxylic acid
sc-2999576-Bromo-3- (methylthio) -[1,2,4]triazolo[4,3-a]pyridine

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