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Thiobencarb

CAT: 0013-GTR19172387-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19172387-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thiobencarb is a thiocarbamate herbicide that acts as a cholinesterase inhibitor. It is used in agricultural research and in toxicological studies, both in vitro and in vivo, to investigate the effects of acetylcholinesterase inhibition.
CAS Number
28249-77-6
Product Name Alternative
Benthiocarb, cholinesterase, Saturn, Siacarb, Thiobencarb, Thiobencarbe
Field of Research
Neuroscience
Purity
98.68% (May vary between batches)
Solubility
H2O:30mg/L (22 oC) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (7.76 mM) ; DMSO:60 mg/mL (232.76 mM)
Smiles
CCN (CC) C (=O) SCC1=CC=C (Cl) C=C1
Molecular Formula
C12H16ClNOS
Molecular Weight
257.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiobencarb

Thiobencarb is a monothiocarbamic ester and a member of monochlorobenzenes.

CAS Number28249-77-6
PubChem CID34192
IUPAC NameS-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Molecular FormulaC12H16ClNOS
Molecular Weight257.78
XLogP3.4
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity213
SMILES
CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
QHTQREMOGMZHJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiobencarb
CAS: 28249-77-6
CID: 34192
Formula: C12H16ClNOS
MW: 257.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.78
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass257.0641130
Monoisotopic Mass257.0641130
Topological Polar Surface Area45.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity213
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

Alternative Products

CatalogName
M27340-01Thiobencarb
HY-129792RThiobencarb (Standard)
HY-129792S-01Thiobencarb-d10
TRC-T344256-5MGThiobencarb-d10 (diethyl-d10)

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