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CAS 676-85-7 Methanesulfinylchloride molecular structure lightbox
CAS RN: 676-85-7

Methanesulfinylchloride

  • Product code: SSC-177294
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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, 1g
  • Available purity: ≥97%
  • 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 676-85-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

676-85-7 / methanesulfinyl chloride

Standard CAS: 676-85-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
676-85-7
Multi CAS
No
Molecular Formula
CH3CLOS
Molecular Weight
98.550000
Exact Mass
97.959314
InChI
InChI=1S/CH3ClOS/c1-4(2)3/h1H3
InChIKey
LURSUHVHQZXABT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
19.92
TPSA
17.07

LogP / Solubility

WLOGP
0.52
MLOGP
0.44
XLogP3
0.4
Consensus LogP
0.45
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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)
-2.95

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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