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CAS 88-22-2 2-Amino-3,5-dimethylbenzenesulfonic Acid molecular structure lightbox
CAS RN: 88-22-2

2-Amino-3,5-dimethylbenzenesulfonic Acid

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 100g In stock Inquiry
Batchno.20250409 2.5kg In stock Inquiry
Batchno.20250824 25g In stock Inquiry
Batchno.20260109 500g In stock Inquiry
Batchno.20260311 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250121 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250310 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-198403
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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: 25g
  • 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 88-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

88-22-2 / 2-amino-3,5-dimethylbenzenesulfonic acid

Standard CAS: 88-22-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
88-22-2
Multi CAS
No
Molecular Formula
C8H11NO3S
Molecular Weight
201.250000
Exact Mass
201.045964
SMILES
CC1=CC(=C(C(=C1)S(=O)(=O)O)N)C
InChI
InChI=1S/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKey
CFCXQQUQLZIZPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.14
TPSA
80.39

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.3
Consensus LogP
1.14
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (31%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (31%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (69%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H412 (31%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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