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CAS 82068-09-5 (THIOPHENE-2-SULFONYLAMINO)-ACETIC ACID molecular structure lightbox
CAS RN: 82068-09-5

(THIOPHENE-2-SULFONYLAMINO)-ACETIC ACID

  • Product code: SSC-190300
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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: 1g
  • 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 82068-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

82068-09-5 / 2-(thiophen-2-ylsulfonylamino)acetic acid

Standard CAS: 82068-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82068-09-5
Multi CAS
Yes
Molecular Formula
C6H7NO4S2
Molecular Weight
221.300000
Exact Mass
220.981650
InChI
InChI=1S/C6H7NO4S2/c8-5(9)4-7-13(10,11)6-2-1-3-12-6/h1-3,7H,4H2,(H,8,9)
InChIKey
UFLYUBNAUREKFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.14
TPSA
83.47

LogP / Solubility

WLOGP
0.11
MLOGP
0.1
XLogP3
0.5
Consensus LogP
0.24
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.99

Drug-likeness / Medicinal Chemistry

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

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