[email protected]
CAS 594-45-6 Ethanesulfonic Acid molecular structure lightbox
CAS RN: 594-45-6

Ethanesulfonic Acid

  • Product code: SSC-167856
GET A QUOTE
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: ≥90%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 594-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥90% 0 Out of Stock Beijing Inquiry

594-45-6 / ethanesulfonic acid

Standard CAS: 594-45-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
594-45-6
Multi CAS
Yes
Molecular Formula
C2H6O3S
Molecular Weight
110.130000
Exact Mass
110.003765
InChI
InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKey
CCIVGXIOQKPBKL-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear light yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
22.09
TPSA
54.37

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.5
Consensus LogP
-0.24
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.47

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

Customers Also Viewed

Get In Touch

Contact Us