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CAS 5395-75-5 3,6-DITHIAOCTANE molecular structure lightbox
CAS RN: 5395-75-5

3,6-DITHIAOCTANE

  • Product code: SSC-161380
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5395-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry

5395-75-5 / 1,2-bis(ethylsulfanyl)ethane

Standard CAS: 5395-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5395-75-5
Multi CAS
Yes
Molecular Formula
C6H14S2
Molecular Weight
150.300000
Exact Mass
150.053693
InChI
InChI=1S/C6H14S2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
InChIKey
DCXDVGKTBDNYRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
46
TPSA
50.6000

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.33
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-1.87

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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