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5-Fluoropyridine-2-carbothioamide

CAT: 0926-GAC82332-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GAC82332-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1256823-32-1
MDL Number
MFCD18259397
Smiles
C1=CC (=NC=C1F) C (=S) N
Molecular Formula
C6H5FN2S
Molecular Weight
156.18 g/mol
Controlled
No

Chemical Information

5-Fluoropyridine-2-carbothioamide
CAS Number1256823-32-1
PubChem CID75355426
IUPAC Name5-fluoropyridine-2-carbothioamide
Molecular FormulaC6H5FN2S
Molecular Weight156.18
XLogP0.8
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity140
SMILES
C1=CC(=NC=C1F)C(=S)N
InChI
InChI=1S/C6H5FN2S/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,(H2,8,10)
InChIKey
GYMMVHCUSRDYSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoropyridine-2-carbothioamide
CAS: 1256823-32-1
CID: 75355426
Formula: C6H5FN2S
MW: 156.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.18
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass156.01574750
Monoisotopic Mass156.01574750
Topological Polar Surface Area71 Ų
Heavy Atom Count10
Formal Charge0
Complexity140
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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