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2,6-Dichloropyridine-4-carbothioamide

CAT: 0013-GTR19252084-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252084-01Size:100 mg
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Description
2,6-Dichloropyridine-4-carbothioamide
CAS Number
175204-46-3
Smiles
NC (=S) c1cc (Cl) nc (Cl) c1
Molecular Formula
C6H4Cl2N2S
Molecular Weight
207.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,6-Dichloropyridine-4-carbothioamide
CAS Number175204-46-3
PubChem CID2781859
IUPAC Name2,6-dichloropyridine-4-carbothioamide
Molecular FormulaC6H4Cl2N2S
Molecular Weight207.08
XLogP1.5
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=C(C=C(N=C1Cl)Cl)C(=S)N
InChI
InChI=1S/C6H4Cl2N2S/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)
InChIKey
QZDZCVBAYMPTBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichloropyridine-4-carbothioamide
CAS: 175204-46-3
CID: 2781859
Formula: C6H4Cl2N2S
MW: 207.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.08
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass205.9472247
Monoisotopic Mass205.9472247
Topological Polar Surface Area71 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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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CatalogName
OR271642,6-dichloropyridine-4-carbothioamide
QBA31471-014,6-Dichloropyridine-2-carbonitrile
259178-014-Amino-2,6-dichloropyridine
sc-4838894-Bromo-2,6-dichloropyridine
sc-2834512,6-Dichloropyridine-4-carboxaldehyde
OR1033057-012-Bromo-4,6-dichloropyridine
260930-012-Amino-4,6-dichloropyridine
266065-014- (Bromomethyl) -2,6-dichloropyridine
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