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CAS 629-19-6 Dipropyl Disulfide molecular structure lightbox
CAS RN: 629-19-6

Dipropyl Disulfide

  • Product code: SSC-172289
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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: 100g
  • 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 629-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

629-19-6 / 1-(propyldisulfanyl)propane

Standard CAS: 629-19-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
629-19-6
Multi CAS
No
Molecular Formula
C6H14S2
Molecular Weight
150.300000
Exact Mass
150.053693
InChI
InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKey
ALVPFGSHPUPROW-UHFFFAOYSA-N

Physical Properties

Melting Point
-85.6 °C -122.1 °F
Boiling Point
193.00 to 195.00 °C. @ 760.00 mm Hg 383 °F
Density
0.950-0.960
Physical Description
Liquid colourless to pale yellowish liquid with poor tenacity; pungent sulfur-like odour of onion or garlic Colorless to pale yellow odorous liquid.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
45.5
TPSA
50.6000

LogP / Solubility

WLOGP
3.19
MLOGP
2.8
XLogP3
2.7
Consensus LogP
2.9
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.37

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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