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Naphthalene-1-thiocarboxamide, 97%

CAT: 0013-GTR19254080-01Size: 1 gDry Ice: NoHazardous: No
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Description
Naphthalene-1-thiocarboxamide, 97% , with CAS No. 20300-10-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Naphthalene-1-thiocarboxamide, 97% provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
20300-10-1
Smiles
NC (=S) c1cccc2ccccc12
Molecular Formula
C11H9NS
Molecular Weight
187.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Naphthalene-1-carbothioamide
CAS Number20300-10-1
PubChem CID3981658
IUPAC Namenaphthalene-1-carbothioamide
Molecular FormulaC11H9NS
Molecular Weight187.26
XLogP3
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity202
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=S)N
InChI
InChI=1S/C11H9NS/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13)
InChIKey
DRCKUACWKCMOCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthalene-1-carbothioamide
CAS: 20300-10-1
CID: 3981658
Formula: C11H9NS
MW: 187.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.26
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass187.04557046
Monoisotopic Mass187.04557046
Topological Polar Surface Area58.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity202
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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