Products for Research Use Only
RegisterLogin

Thiobencarb

CAT: 0572-TRC-T344255-2.5GSize: 2.5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-T344255-2.5GSize:2.5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
28249-77-6
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCN(CC)C(=O)SCc1ccc(Cl)cc1
Molecular Formula
C12 H16 Cl N O S
Molecular Weight
257.78
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
Additionnal Information
IUPAC name: S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

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
461837Thiobencarb
HY-129792RThiobencarb (Standard)
HY-129792S-01Thiobencarb-d10

Popular Products