Products for Research Use Only
RegisterLogin

Penoxsulam

CAT: 0572-TRC-P274000-250MGSize: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-P274000-250MGSize:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
219714-96-2
Hazard Statement
May cause damage to organs through prolonged or repeated exposure; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12
Molecular Formula
C16 H14 F5 N5 O5 S
Molecular Weight
483.37
InChI
InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
Additionnal Information
IUPAC name: 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Penoxsulam

Penoxsulam is a member of triazolopyrimidines.

CAS Number219714-96-2
PubChem CID11784975
IUPAC Name2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Molecular FormulaC16H14F5N5O5S
Molecular Weight483.4
XLogP2.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity727
SMILES
COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC
InChI
InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
InChIKey
SYJGKVOENHZYMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Penoxsulam
CAS: 219714-96-2
CID: 11784975
Formula: C16H14F5N5O5S
MW: 483.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass483.06358055
Monoisotopic Mass483.06358055
Topological Polar Surface Area125 Ų
Heavy Atom Count32
Formal Charge0
Complexity727
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
CS-T-83946Penoxsulam
CS-T-103513Penoxsulam-d6
RM-P051501-01Penoxsulam Impurity 1
AR-P30666-01Penoxsulam-13C2-d6
AR-P29571-01Penoxsulam Impurity 3
165712Anti Penoxsulam Pab
AB500501-1Penoxsulam Assay Kit
AR-P01414-01Penoxsulam Impurity 2
150231Anti Penoxsulam Pab Rat
AR-P30667-01Penoxsulam Impurity 4 Sodium Salt

Popular Products