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CAS 122931-48-0 Rimsulfuron, 100μg/mL, U(%)=2 in acetone molecular structure lightbox
CAS RN: 122931-48-0

Rimsulfuron, 100μg/mL, U(%)=2 in acetone

  • Product code: SSC-026628
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122931-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

122931-48-0 / 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-ethylsulfonyl-2-pyridinyl)sulfonyl]urea

Standard CAS: 122931-48-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
122931-48-0
Multi CAS
No
Molecular Formula
C14H17N5O7S2
Molecular Weight
431.400000
Exact Mass
431.056940
SMILES
CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
MEFOUWRMVYJCQC-UHFFFAOYSA-N

Physical Properties

Melting Point
176-178 °C
Density
0.784 at 25 °C
Appearance
Colorless crystals
State
Solid
Storage Conditions
Store product in original container only. Store in a cool, dry place. /DuPont Matrix Herbicide/ Store in original container only. Do not contaminate water, other pesticides, fertilizer, food, or feed in storage. Avoid freezing. Store in original container only.

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
2
Molar refractivity
96.44
TPSA
166.54

LogP / Solubility

WLOGP
0.19
MLOGP
0.2
XLogP3
0.7
Consensus LogP
0.36
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (14.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (44.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (52.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (53.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501

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