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CAS 67633-97-0 3-Mercapto-2-pentanone molecular structure lightbox
CAS RN: 67633-97-0

3-Mercapto-2-pentanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-177350
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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: 5g
  • 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 67633-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

67633-97-0 / 3-sulfanylpentan-2-one

Standard CAS: 67633-97-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
67633-97-0
Multi CAS
Yes
Molecular Formula
C5H10OS
Molecular Weight
118.200000
Exact Mass
118.045236
InChI
InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3
InChIKey
SZECUQRKLXRGSJ-UHFFFAOYSA-N

Physical Properties

Boiling Point
160.00 to 165.00 °C. @ 760.00 mm Hg
Density
0.988-0.998
Physical Description
colourless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.75
TPSA
17.07

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.53

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
2

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