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CAS 18649-16-6 MethanesulfinaMide molecular structure lightbox
CAS RN: 18649-16-6

MethanesulfinaMide

  • Product code: SSC-086604
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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: 0.25g
  • 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 18649-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

18649-16-6 / methanesulfinamide

Standard CAS: 18649-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18649-16-6
Multi CAS
No
Molecular Formula
CH5NOS
Molecular Weight
79.120000
Exact Mass
79.009185
SMILES
CS(=O)N
InChI
InChI=1S/CH5NOS/c1-4(2)3/h2H2,1H3
InChIKey
SZEHYTUQQCTUQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
18.25
TPSA
43.09

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.68
XLogP3
-0.9
Consensus LogP
-0.78
Log S (ESOL)
0.15
Class (ESOL)
Highly soluble
Log S (Ali)
0.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.74

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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