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CAS 98-33-9 2-Aminotoluene-5-sulfonic acid molecular structure lightbox
CAS RN: 98-33-9

2-Aminotoluene-5-sulfonic acid

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100g In stock Inquiry
Batchno.20250618 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251207 1kg Out of stock Inquiry
Batchno.20250919 250g In stock Inquiry
Batchno.20251008 500g In stock Inquiry
  • Product code: SSC-212443
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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: 500g
  • 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 98-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

98-33-9 / 4-amino-3-methylbenzenesulfonic acid

Standard CAS: 98-33-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98-33-9
Multi CAS
Yes
Molecular Formula
C7H9NO3S
Molecular Weight
187.220000
Exact Mass
187.030314
InChI
InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
InChIKey
WQTCZINVPXJNEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.41
TPSA
80.39

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
Consensus LogP
0.51
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.28

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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