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J1038

CAT: 0013-GTR19197443-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197443-02Size:50 mg
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Description
J1038
CAS Number
949727-86-0
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
C (NO) (=O) C=1C=C2C (=CC1) SC (C) C (=O) N2
Molecular Formula
C10H10N2O3S
Molecular Weight
238.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid
CAS Number949727-86-0
PubChem CID42917485
IUPAC NameN-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
Molecular FormulaC10H10N2O3S
Molecular Weight238.27
XLogP0.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity310
SMILES
CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NO
InChI
InChI=1S/C10H10N2O3S/c1-5-9(13)11-7-4-6(10(14)12-15)2-3-8(7)16-5/h2-5,15H,1H3,(H,11,13)(H,12,14)
InChIKey
GIAXUWZVCYGXKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid
CAS: 949727-86-0
CID: 42917485
Formula: C10H10N2O3S
MW: 238.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.27
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass238.04121336
Monoisotopic Mass238.04121336
Topological Polar Surface Area104 Ų
Heavy Atom Count16
Formal Charge0
Complexity310
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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