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CAS 15908-50-6 3-[BIS(METHYLSULFANYL)METHYLENE]-2,4-PENTANEDIONE molecular structure lightbox
CAS RN: 15908-50-6

3-[BIS(METHYLSULFANYL)METHYLENE]-2,4-PENTANEDIONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-067170
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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: 1g
  • 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 15908-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

15908-50-6 / 3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione

Standard CAS: 15908-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15908-50-6
Multi CAS
No
Molecular Formula
C8H12O2S2
Molecular Weight
204.300000
Exact Mass
204.027872
SMILES
CC(=O)C(=C(SC)SC)C(=O)C
InChI
InChI=1S/C8H12O2S2/c1-5(9)7(6(2)10)8(11-3)12-4/h1-4H3
InChIKey
XWXZIOSTOJKWSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
55.42
TPSA
34.14

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.3
Consensus LogP
1.75
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.47

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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