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CAS 58066-86-7 (2-FURFURYLTHIO)ACETONE molecular structure lightbox
CAS RN: 58066-86-7

(2-FURFURYLTHIO)ACETONE

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260216 5g / 25g / 100g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250210 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS58066-86-7
  • Purity/Analytical Methods: >99.0%
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58066-86-7 / 1-(furan-2-ylmethylsulfanyl)propan-2-one

Standard CAS: 58066-86-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
58066-86-7
Multi CAS
Yes
Molecular Formula
C8H10O2S
Molecular Weight
170.230000
Exact Mass
170.040151
InChI
InChI=1S/C8H10O2S/c1-7(9)5-11-6-8-3-2-4-10-8/h2-4H,5-6H2,1H3
InChIKey
WWWHLSMCOBIZNV-UHFFFAOYSA-N

Physical Properties

Density
1.146-1.154
Physical Description
Colourless to yellow clear liquid; Roasted coffee aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
45.55
TPSA
30.21

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.2
Consensus LogP
1.72
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.27

Drug-likeness / Medicinal Chemistry

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

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