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CAS 110-04-3 1,2-Ethanedisulfonic acid molecular structure lightbox
CAS RN: 110-04-3

1,2-Ethanedisulfonic acid

  • Product code: SSC-011235
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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: 25g
  • Available purity: ≥97%
  • 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 110-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

110-04-3 / ethane-1,2-disulfonic acid

1,2-ETHANEDISULFONIC ACID | Allergosil | 1,2-Ethanedisulphonic acid

Standard CAS: 110-04-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110-04-3
Multi CAS
Yes
Molecular Formula
C2H6O6S2
Molecular Weight
190.200000
Exact Mass
189.960580
SMILES
C(CS(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey
AFAXGSQYZLGZPG-UHFFFAOYSA-N
Synonyms
1,2-ETHANEDISULFONIC ACID Allergosil 1,2-Ethanedisulphonic acid DL69Y31QQV EINECS 203-732-0

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.83
TPSA
108.74

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.09
XLogP3
-2
Consensus LogP
-1.44
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
Class (SILICOS-IT)
Very 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)
-4.76

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 Irritant
Signal
Danger
GHS Hazard Statements
H290 (22.2%): May be corrosive to metals [Warning Corrosive to Metals] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P390, P405, P406, and P501

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