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CAS 4083-64-1 p-Toluenesulfonyl Isocyanate molecular structure lightbox
CAS RN: 4083-64-1

p-Toluenesulfonyl Isocyanate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 100g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260518 10kg In stock Shandong Inquiry
Batchno.20250628 2.5kg In stock Shandong, Guangdong Inquiry
Batchno.20260520 25g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260429 500g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-149159
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4083-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 3 In Stock Beijing Inquiry
100g >95% 3 In Stock Shanghai Inquiry
500g >95% 2 In Stock Beijing Inquiry
1000g >95% 2 In Stock Beijing Inquiry

4083-64-1 / 4-methyl-N-(oxomethylidene)benzenesulfonamide

Standard CAS: 4083-64-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4083-64-1
Multi CAS
Yes
Molecular Formula
C8H7NO3S
Molecular Weight
197.210000
Exact Mass
197.014664
InChI
InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
InChIKey
VLJQDHDVZJXNQL-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless liquid with an irritating odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.49
TPSA
63.57

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
2.7
Consensus LogP
1.54
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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