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CAS 107-36-8 2-Hydroxyethanesulphonic acid molecular structure lightbox
CAS RN: 107-36-8

2-Hydroxyethanesulphonic acid

  • Product code: SSC-008451
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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: 500g
  • 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 107-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Beijing Inquiry

107-36-8 / 2-hydroxyethanesulfonic acid

ISETHIONIC ACID | 2-Hydroxyethanesulfonic acid | Hydroxyethylsulfonic acid

Standard CAS: 107-36-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
107-36-8
Multi CAS
Yes
Molecular Formula
C2H6O4S
Molecular Weight
126.130000
Exact Mass
125.998680
SMILES
C(CS(=O)(=O)O)O
InChI
InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKey
SUMDYPCJJOFFON-UHFFFAOYSA-N
Synonyms
ISETHIONIC ACID 2-Hydroxyethanesulfonic acid Hydroxyethylsulfonic acid Ethanesulfonic acid, 2-hydroxy- NSC-60516

Physical Properties

Melting Point
< 25 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
23.5
TPSA
74.6

LogP / Solubility

WLOGP
-1.13
MLOGP
-1.01
XLogP3
-1.6
Consensus LogP
-1.25
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
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)
-4.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (94.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H412 (77.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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