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CAS 220315-18-4 (R)-N-[(1E)-Ethylidene]-2-methylpropane-2-sulfinamide molecular structure lightbox
CAS RN: 220315-18-4

(R)-N-[(1E)-Ethylidene]-2-methylpropane-2-sulfinamide

  • Product code: SSC-105976
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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: ≥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 220315-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

220315-18-4 / (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide

Standard CAS: 220315-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220315-18-4
Multi CAS
No
Molecular Formula
C6H13NOS
Molecular Weight
147.240000
Exact Mass
147.071785
SMILES
C/C=N/[S@](=O)C(C)(C)C
InChI
InChI=1S/C6H13NOS/c1-5-7-9(8)6(2,3)4/h5H,1-4H3/b7-5+/t9-/m1/s1
InChIKey
SFPPCFXOSJAOKL-VPIOIWJLSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
42.06
TPSA
29.43

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
0.4
Consensus LogP
1.1
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-2.53

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
2

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