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CAS 90556-91-5 2-(4-AMinophenyl)isothiazolidine 1,1-dioxide molecular structure lightbox
CAS RN: 90556-91-5

2-(4-AMinophenyl)isothiazolidine 1,1-dioxide

  • Product code: SSC-203075
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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: 5g
  • 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 90556-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

90556-91-5 / 4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline

Standard CAS: 90556-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90556-91-5
Multi CAS
No
Molecular Formula
C9H12N2O2S
Molecular Weight
212.270000
Exact Mass
212.061949
InChI
InChI=1S/C9H12N2O2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h2-5H,1,6-7,10H2
InChIKey
BISNTORNTSHTAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.6
TPSA
63.4

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.5
Consensus LogP
0.67
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

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