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CAS 1669-98-3 ETHYLMETHYLSULPHOXIDE molecular structure lightbox
CAS RN: 1669-98-3

ETHYLMETHYLSULPHOXIDE

  • Product code: SSC-072817
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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: 1g
  • 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 1669-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1669-98-3 / 1-methylsulfinylethane

Standard CAS: 1669-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1669-98-3
Multi CAS
No
Molecular Formula
C3H8OS
Molecular Weight
92.160000
Exact Mass
92.029586
SMILES
CCS(=O)C
InChI
InChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3
InChIKey
VTRRCXRVEQTTOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
24.61
TPSA
17.07

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
-0.3
Consensus LogP
0.14
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-3.01

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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