Products for Research Use Only

Butylate

CAT: 0013-GTR19202238-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202238-01Size:25 mg
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Description
Butylate is a thiocarbamate-class herbicide used in agricultural research to study its mechanism of action and selectivity. It serves as a tool compound in plant biology for investigating herbicidal activity and metabolism, both in controlled in vitro assays and in vivo plant studies.
CAS Number
2008-41-5
Field of Research
Cell Biology, Epigenetics & Chromatin, Signal Transduction
Smiles
O=C (SCC) N (CC (C) C) CC (C) C
Molecular Formula
C11H23NOS
Molecular Weight
217.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Butylate

Butylate is a tertiary amine.

CAS Number2008-41-5
PubChem CID16181
IUPAC NameS-ethyl N,N-bis(2-methylpropyl)carbamothioate
Molecular FormulaC11H23NOS
Molecular Weight217.37
XLogP4.2
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity159
SMILES
CCSC(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKey
BMTAFVWTTFSTOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butylate
CAS: 2008-41-5
CID: 16181
Formula: C11H23NOS
MW: 217.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight217.37
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass217.15003553
Monoisotopic Mass217.15003553
Topological Polar Surface Area45.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity159
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