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CAS 2307-10-0 S-Propyl Thioacetate molecular structure lightbox
CAS RN: 2307-10-0

S-Propyl Thioacetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: ICTP1716
  • Purity/Analytical Methods: >98.0%(GC)
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2307-10-0 / S-propyl ethanethioate

Standard CAS: 2307-10-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2307-10-0
Multi CAS
No
Molecular Formula
C5H10OS
Molecular Weight
118.200000
Exact Mass
118.045236
SMILES
CCCSC(=O)C
InChI
InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChIKey
SBWFWBJCYMBZEY-UHFFFAOYSA-N

Physical Properties

Boiling Point
137.00 to 139.00 °C. @ 760.00 mm Hg
Density
0.953-0.959
Physical Description
colourless to pale yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.43
TPSA
17.07

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.6
Consensus LogP
1.58
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.25

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

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