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CAS 2580-77-0 2,2′-SULFONYLDIETHANOL molecular structure lightbox
CAS RN: 2580-77-0

2,2′-SULFONYLDIETHANOL

  • Product code: SSC-122349
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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: 100g
  • 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 2580-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

2580-77-0 / 2-(2-hydroxyethylsulfonyl)ethanol

Standard CAS: 2580-77-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2580-77-0
Multi CAS
No
Molecular Formula
C4H10O4S
Molecular Weight
154.190000
Exact Mass
154.029980
SMILES
C(CS(=O)(=O)CCO)O
InChI
InChI=1S/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2
InChIKey
QQLILYBIARWEIF-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.83
TPSA
74.6

LogP / Solubility

WLOGP
-1.61
MLOGP
-1.43
XLogP3
-1.8
Consensus LogP
-1.61
Log S (ESOL)
0.48
Class (ESOL)
Highly soluble
Log S (Ali)
0.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.2
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.81

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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