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CAS 50890-51-2 1-chloro-2-(methylsulfonyl)ethane(SALTDATA: FREE) molecular structure lightbox
CAS RN: 50890-51-2

1-chloro-2-(methylsulfonyl)ethane(SALTDATA: FREE)

  • Product code: SSC-157636
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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: 5g
  • 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 50890-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

50890-51-2 / 1-chloro-2-methylsulfonylethane

Standard CAS: 50890-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50890-51-2
Multi CAS
No
Molecular Formula
C3H7CLO2S
Molecular Weight
142.610000
Exact Mass
141.985528
InChI
InChI=1S/C3H7ClO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
InChIKey
DKWNYTKOLIZNAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
30.43
TPSA
34.14

LogP / Solubility

WLOGP
0.27
MLOGP
0.23
XLogP3
0.2
Consensus LogP
0.23
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-3.4

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

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