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Dimethenamid-oxalamid

CAT: 0926-FQA41259Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FQA41259Size:100 mg
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CAS Number
380412-59-9
Smiles
C1=CC (=C (N=C1) C2=C (C=NC=C2) C (=O) O) C (=O) O
Molecular Formula
C12H17NO4S
Molecular Weight
271.33 g/mol
Controlled
No

Chemical Information

Dimethenamid OA

Dimethenamid OXA is a monocarboxylic acid that is oxoacetic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It is a metabolite of the herbicide dimethenamid. It has a role as a marine xenobiotic metabolite. It is a monocarboxylic acid, an ether, a member of thiophenes and an aromatic amide.

CAS Number380412-59-9
PubChem CID86290064
IUPAC Name2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoacetic acid
Molecular FormulaC12H17NO4S
Molecular Weight271.33
XLogP2
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity323
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C
InChI
InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16)
InChIKey
HOYCASTVMCEOTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethenamid OA
CAS: 380412-59-9
CID: 86290064
Formula: C12H17NO4S
MW: 271.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.33
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass271.08782920
Monoisotopic Mass271.08782920
Topological Polar Surface Area95.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity323
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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