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Prosulfocarb

CAT: 0931-T20526-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T20526-03Size:100 mg
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CAS Number
52888-80-9
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
Prosulfocarb, a thiocarbamate herbicide, is widely used in winter cereals.
Smiles
O=C(SCC=1C=CC=CC1)N(CCC)CCC
Molecular Formula
C14H21NOS
Molecular Weight
251.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Prosulfocarb

Prosulfocarb is a monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a member of benzenes and a monothiocarbamic ester.

CAS Number52888-80-9
PubChem CID62020
IUPAC NameS-benzyl N,N-dipropylcarbamothioate
Molecular FormulaC14H21NOS
Molecular Weight251.39
XLogP3.9
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity208
SMILES
CCCN(CCC)C(=O)SCC1=CC=CC=C1
InChI
InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKey
NQLVQOSNDJXLKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prosulfocarb
CAS: 52888-80-9
CID: 62020
Formula: C14H21NOS
MW: 251.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.39
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass251.13438547
Monoisotopic Mass251.13438547
Topological Polar Surface Area45.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity208
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
GW9252-1gProsulfocarb
TRC-P354970-50MGProsulfocarb Sulfoxide
TRC-P141322-50MGProsulfocarb-d14
HY-129300SProsulfocarb-d7
HY-129300RProsulfocarb (Standard)
AR-P33083-01Prosulfocarb-13C6

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