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Sch 24937

CAT: 0013-GTR19196591-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196591-02Size:50 mg
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Description
Sch 24937
CAS Number
75696-17-2
Field of Research
Signal Transduction
Smiles
C (CS (C) =O) (=O) C1=C (C=2C (N1) =CC (Br) =C (Cl) C2) C3=CC=CC=N3
Molecular Formula
C16H12BrClN2O2S
Molecular Weight
411.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sch 24937
CAS Number75696-17-2
PubChem CID173465
IUPAC Name1-(6-bromo-5-chloro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanone
Molecular FormulaC16H12BrClN2O2S
Molecular Weight411.7
XLogP3.3
Topological Polar Surface Area82
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity481
SMILES
CS(=O)CC(=O)C1=C(C2=CC(=C(C=C2N1)Br)Cl)C3=CC=CC=N3
InChI
InChI=1S/C16H12BrClN2O2S/c1-23(22)8-14(21)16-15(12-4-2-3-5-19-12)9-6-11(18)10(17)7-13(9)20-16/h2-7,20H,8H2,1H3
InChIKey
QPUSHOZBKOBMDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sch 24937
CAS: 75696-17-2
CID: 173465
Formula: C16H12BrClN2O2S
MW: 411.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.7
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass409.94914
Monoisotopic Mass409.94914
Topological Polar Surface Area82 Ų
Heavy Atom Count23
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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