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Carboxin

CAT: 1596-AR-C06172-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06172-04Size:100 Units
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CAS Number
5234-68-4
Molecular Formula
C12H13NO2S
Molecular Weight
235.30
API Name
Carboxin

Chemical Information

Carboxin

Carboxin is an anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an anilide, a secondary carboxamide, an oxacycle, an organosulfur heterocyclic compound, an enamide and an anilide fungicide.

CAS Number5234-68-4
PubChem CID21307
IUPAC Name6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Molecular FormulaC12H13NO2S
Molecular Weight235.30
XLogP2.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity295
SMILES
CC1=C(SCCO1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey
GYSSRZJIHXQEHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carboxin
CAS: 5234-68-4
CID: 21307
Formula: C12H13NO2S
MW: 235.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.30
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass235.06669983
Monoisotopic Mass235.06669983
Topological Polar Surface Area63.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity295
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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