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(R)-Dimethenamid

CAT: 0572-TRC-D463510-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D463510-250MGSize:250 mg
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CAS Number
163515-13-7
Synonyms
2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1R)-2-methoxy-1-methylethyl]acetamide
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
COC[C@@H](C)N(C(=O)CCl)c1c(C)csc1C
Molecular Formula
C12H18ClNO2S
Molecular Weight
275.79
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(R)-dimethenamid

(R)-dimethenamid is a 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide that has R configuration. It is the inactive enantiomer; its (active) enantiomer is the herbicide known as dimethenamid-P; the racemate is the herbicide dimethenamid. It is an enantiomer of a dimethenamid-P.

CAS Number163515-13-7
PubChem CID56845520
IUPAC Name2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80
XLogP2.6
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity265
SMILES
CC1=CSC(=C1N([C@H](C)COC)C(=O)CCl)C
InChI
InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m1/s1
InChIKey
JLYFCTQDENRSOL-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of (R)-dimethenamid
CAS: 163515-13-7
CID: 56845520
Formula: C12H18ClNO2S
MW: 275.80
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.80
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass275.0746777
Monoisotopic Mass275.0746777
Topological Polar Surface Area57.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes