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CAS 24891-77-8 S-(2-Chloroallyl)thioacetate molecular structure lightbox
CAS RN: 24891-77-8

S-(2-Chloroallyl)thioacetate

  • Product code: SSC-120042
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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 24891-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

24891-77-8 / S-(2-chloroprop-2-enyl) ethanethioate

Standard CAS: 24891-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24891-77-8
Multi CAS
No
Molecular Formula
C5H7ClOS
Molecular Weight
150.630000
Exact Mass
149.990614
SMILES
CC(=O)SCC(=C)Cl
InChI
InChI=1S/C5H7ClOS/c1-4(6)3-8-5(2)7/h1,3H2,2H3
InChIKey
YJNWQXNLWIKNIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.13
TPSA
17.07

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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

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