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CAS 13678-68-7 S-Furfuryl Thioacetate molecular structure lightbox
CAS RN: 13678-68-7

S-Furfuryl Thioacetate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250828 100g In stock Shandong Inquiry
Batchno.20250331 25g In stock Shanghai, Shandong Inquiry
Batchno.20260315 500g Out of stock 5-7 business days Inquiry
  • Product code: SSC-045797
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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: 10g
  • 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 13678-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

13678-68-7 / S-(furan-2-ylmethyl) ethanethioate

Standard CAS: 13678-68-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13678-68-7
Multi CAS
No
Molecular Formula
C7H8O2S
Molecular Weight
156.200000
Exact Mass
156.024501
SMILES
CC(=O)SCC1=CC=CO1
InChI
InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
LQOUTUIIYXYBQW-UHFFFAOYSA-N

Physical Properties

Boiling Point
90.00 to 92.00 °C. @ 12.00 mm Hg
Density
1.149-1.155 (20°)
Physical Description
Oily liquid; burnt, roasted, alliaceous, garlic, savory, coffee-like
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.68
TPSA
30.21

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
1.3
Consensus LogP
1.72
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.21

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (89.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (89.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (89%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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