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CAS 1965253-60-4 Ethanol, 2,2′-[(1-methylethylidene)bis(thio)]bis- molecular structure lightbox
CAS RN: 1965253-60-4

Ethanol, 2,2′-[(1-methylethylidene)bis(thio)]bis-

  • Product code: SSC-092775
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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: ＞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 1965253-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1965253-60-4 / 2-[2-(2-hydroxyethylsulfanyl)propan-2-ylsulfanyl]ethanol

Standard CAS: 1965253-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1965253-60-4
Multi CAS
No
Molecular Formula
C7H16O2S2
Molecular Weight
196.300000
Exact Mass
196.059172
SMILES
CC(C)(SCCO)SCCO
InChI
InChI=1S/C7H16O2S2/c1-7(2,10-5-3-8)11-6-4-9/h8-9H,3-6H2,1-2H3
InChIKey
INYSWWGLFCGPBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.17
TPSA
40.46

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.08

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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