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CAS 2444-49-7 diallyl tetrasulphide molecular structure lightbox
CAS RN: 2444-49-7

diallyl tetrasulphide

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251113 1mg Out of stock Inquiry
Batchno.20260320 5mg Out of stock Inquiry
  • Product code: starshine_CAS2444-49-7
  • Purity/Analytical Methods: >99.0%
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2444-49-7 / 3-(prop-2-enyltetrasulfanyl)prop-1-ene

Standard CAS: 2444-49-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2444-49-7
Multi CAS
No
Molecular Formula
C6H10S4
Molecular Weight
210.400000
Exact Mass
209.966535
SMILES
C=CCSSSSCC=C
InChI
InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
RMKCQUWJDRTEHE-UHFFFAOYSA-N

Physical Properties

Boiling Point
279.00 to 280.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
60.49
TPSA
101.0000

LogP / Solubility

WLOGP
4.04
MLOGP
3.55
XLogP3
3.1
Consensus LogP
3.56
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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