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CAS 15394-33-9 2,7-DITHIAOCTANE molecular structure lightbox
CAS RN: 15394-33-9

2,7-DITHIAOCTANE

  • Product code: SSC-063317
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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: ≥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 15394-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

15394-33-9 / 1,4-bis(methylsulfanyl)butane

Standard CAS: 15394-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15394-33-9
Multi CAS
No
Molecular Formula
C6H14S2
Molecular Weight
150.300000
Exact Mass
150.053693
SMILES
CSCCCCSC
InChI
InChI=1S/C6H14S2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3
InChIKey
JTFIKVWEZAEFMN-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
2.2
Consensus LogP
2.29
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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