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CAS 16667-96-2 1,2:5,6-Di-O-isopropylidene-a-D-glucofuranose S-Methyl Dithiocarbonate molecular structure lightbox
CAS RN: 16667-96-2

1,2:5,6-Di-O-isopropylidene-a-D-glucofuranose S-Methyl Dithiocarbonate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-072734
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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: ≥95%
  • 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 16667-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

16667-96-2 / O-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methylsulfanylmethanethioate

Standard CAS: 16667-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16667-96-2
Multi CAS
No
Molecular Formula
C14H22O6S2
Molecular Weight
350.500000
Exact Mass
350.085781
SMILES
CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OC(=S)SC)C
InChI
InChI=1S/C14H22O6S2/c1-13(2)15-6-7(18-13)8-9(17-12(21)22-5)10-11(16-8)20-14(3,4)19-10/h7-11H,6H2,1-5H3
InChIKey
ABYFQWZWTAVGKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
8
Molar refractivity
84.59
TPSA
55.38

LogP / Solubility

WLOGP
2.05
MLOGP
1.82
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
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
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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