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NSC636795

CAT: 0013-GTR19199863-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199863-02Size:50 mg
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Description
NSC636795 is a small molecule inhibitor of the ABCG2 transporter. It is used in research to modulate multidrug resistance, particularly in cancer studies, and has been applied in both in vitro and in vivo experimental models.
CAS Number
66528-28-7
Smiles
C (NNC (SC) =S) (=O) C=1C=CN=CC1
Molecular Formula
C8H9N3OS2
Molecular Weight
227.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl N-(pyridine-4-carbonylamino)carbamodithioate
CAS Number66528-28-7
PubChem CID3000602
IUPAC Namemethyl N-(pyridine-4-carbonylamino)carbamodithioate
Molecular FormulaC8H9N3OS2
Molecular Weight227.3
XLogP1.2
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity217
SMILES
CSC(=S)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C8H9N3OS2/c1-14-8(13)11-10-7(12)6-2-4-9-5-3-6/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKey
FZFDBKODIDXCQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl N-(pyridine-4-carbonylamino)carbamodithioate
CAS: 66528-28-7
CID: 3000602
Formula: C8H9N3OS2
MW: 227.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.3
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass227.01870427
Monoisotopic Mass227.01870427
Topological Polar Surface Area111 Ų
Heavy Atom Count14
Formal Charge0
Complexity217
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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