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CAS 8000-78-0 Garlic oil blend molecular structure lightbox
CAS RN: 8000-78-0

Garlic oil blend

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 10kg In stock Inquiry
Batchno.20250708 1kg In stock Inquiry
Batchno.20260531 250g In stock Inquiry
Batchno.20251123 5kg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250117 100g / 500g / 1kg / 2.5kg Confirm by inquiry Shanghai, Chongqing 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260701 500g / 1kg / 2.5kg Confirm by inquiry Shanghai Inquiry
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8000-78-0 / 1-(prop-2-enyldisulfanyl)propane;3-prop-2-enylsulfinylsulfanylprop-1-ene;3-(prop-2-enyltrisulfanyl)prop-1-ene

Garlic oil blend | 1-(prop-2-enyldisulfanyl)propane;3-prop-2-enylsulfinylsulfanylprop-1-ene;3-(prop-2-enyltrisulfanyl)prop-1-ene | orb2279128

Standard CAS: 8000-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
8000-78-0
Multi CAS
No
Molecular Formula
C18H32OS7
Molecular Weight
488.900000
Exact Mass
488.049814
SMILES
CCCSSCC=C.C=CCSSSCC=C.C=CCSS(=O)CC=C
InChI
InChI=1S/C6H10OS2.C6H10S3.C6H12S2/c1-3-5-8-9(7)6-4-2;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2/h2*3-4H,1-2,5-6H2;3H,1,4-6H2,2H3
InChIKey
YHQUMZMLYHQYSW-UHFFFAOYSA-N
Synonyms
Garlic oil blend 1-(prop-2-enyldisulfanyl)propane;3-prop-2-enylsulfinylsulfanylprop-1-ene;3-(prop-2-enyltrisulfanyl)prop-1-ene orb2279128 YHQUMZMLYHQYSW-UHFFFAOYSA-N CID 6850738

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.44
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
144.17
TPSA
17.07

LogP / Solubility

WLOGP
8.11
MLOGP
7.17
XLogP3
8.11
Consensus LogP
7.8
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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