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CAS 2550-40-5 Cyclohexyl disulfide molecular structure lightbox
CAS RN: 2550-40-5

Cyclohexyl disulfide

  • Product code: SSC-121507
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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: 25g
  • 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 2550-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

2550-40-5 / (cyclohexyldisulfanyl)cyclohexane

Standard CAS: 2550-40-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2550-40-5
Multi CAS
No
Molecular Formula
C12H22S2
Molecular Weight
230.400000
Exact Mass
230.116293
SMILES
C1CCC(CC1)SSC2CCCCC2
InChI
InChI=1S/C12H22S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
ODHAQPXNQDBHSH-UHFFFAOYSA-N

Physical Properties

Boiling Point
162.00 to 163.00 °C. @ 6.00 mm Hg
Density
1.042-1.049
Physical Description
Colorless to yellow liquid with an unpleasant odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
68.93
TPSA
50.6000

LogP / Solubility

WLOGP
5.03
MLOGP
4.43
XLogP3
4.5
Consensus LogP
4.65
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.55

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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