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CAS 53595-69-0 2-Thiophenesulfonamide,5-methyl-(7CI,9CI) molecular structure lightbox
CAS RN: 53595-69-0

2-Thiophenesulfonamide,5-methyl-(7CI,9CI)

  • Product code: SSC-160958
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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 53595-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

53595-69-0 / 5-methylthiophene-2-sulfonamide

Standard CAS: 53595-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53595-69-0
Multi CAS
No
Molecular Formula
C5H7NO2S2
Molecular Weight
177.200000
Exact Mass
176.991821
InChI
InChI=1S/C5H7NO2S2/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3,(H2,6,7,8)
InChIKey
QIFRWYJBGDRVKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.43
TPSA
60.16

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.9
Consensus LogP
0.74
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.3

Drug-likeness / Medicinal Chemistry

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

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