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CAS 2179-57-9 Diallyl Disulfide molecular structure lightbox
CAS RN: 2179-57-9

Diallyl Disulfide

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11 package records11 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250613 100g In stock Inquiry
Batchno.20260206 25g In stock Inquiry
Batchno.20260511 500g In stock Inquiry
Batchno.20250815 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260525 10g In stock Shanghai, Wuhan Inquiry
Batchno.20250627 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251001 500g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251022 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 1g / 5g / 25g Confirm by inquiry Shanghai, Guangdong, Chongqing Inquiry
  • Product code: ICTD0071
  • Purity/Analytical Methods: >80.0%(GC)
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2179-57-9 / 3-(prop-2-enyldisulfanyl)prop-1-ene

Standard CAS: 2179-57-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2179-57-9
Multi CAS
No
Molecular Formula
C6H10S2
Molecular Weight
146.300000
Exact Mass
146.022393
SMILES
C=CCSSCC=C
InChI
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
PFRGXCVKLLPLIP-UHFFFAOYSA-N

Physical Properties

Boiling Point
79 °C @ 16 MM HG 138.00 to 139.00 °C. @ 760.00 mm Hg 174.2 °F at 16 mmHg
Density
1.010 @ 15 °C 0.998-1.015
Physical Description
Liquid with a garlic odor; [HSDB] Colorless liquid with a garlic-like stench; pale yellow liquid with odour of garlic; lacrymator Garlic odor.
Appearance
LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
45.31
TPSA
50.6000

LogP / Solubility

WLOGP
2.74
MLOGP
2.4
XLogP3
2.2
Consensus LogP
2.45
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.48
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)
-1.67

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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