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4-Methylthiocanthin-6-one

CAT: 0804-HY-165137Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-165137Size:1 Each
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Description
4-Methylthiocanthin-6-one is an active compound.
CAS Number
500299-14-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/4-methylthiocanthin-6-one.html
Smiles
O=C1C=C(C2=NC=CC3=C2N1C4=CC=CC=C34)SC
Molecular Formula
C15H10N2OS
Molecular Weight
266.32
References & Citations
[1]An Unusual Series of Thiomethylated Canthin‐6‐ones from the North American Mushroom Boletus curtisii
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
Phase 1

Chemical Information

6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 4-(methylthio)-

4-(Methylthio)canthin-6-one is an alkaloid and an organic heterotetracyclic compound.

CAS Number500299-14-9
PubChem CID259217
IUPAC Name4-methylsulfanyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Molecular FormulaC15H10N2OS
Molecular Weight266.32
XLogP2.7
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity436
SMILES
CSC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4
InChI
InChI=1S/C15H10N2OS/c1-19-12-8-13(18)17-11-5-3-2-4-9(11)10-6-7-16-14(12)15(10)17/h2-8H,1H3
InChIKey
HCKATCNEEDQXNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 4-(methylthio)-
CAS: 500299-14-9
CID: 259217
Formula: C15H10N2OS
MW: 266.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.32
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass266.05138412
Monoisotopic Mass266.05138412
Topological Polar Surface Area60.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity436
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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