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CAS 23385-34-4 2-Propanone,1-(2-benzothiazolylthio)-(8CI,9CI) molecular structure lightbox
CAS RN: 23385-34-4

2-Propanone,1-(2-benzothiazolylthio)-(8CI,9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-113114
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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: 1g
  • 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 23385-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

23385-34-4 / 1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one

Standard CAS: 23385-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23385-34-4
Multi CAS
No
Molecular Formula
C10H9NOS2
Molecular Weight
223.300000
Exact Mass
223.012556
SMILES
CC(=O)CSC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H9NOS2/c1-7(12)6-13-10-11-8-4-2-3-5-9(8)14-10/h2-5H,6H2,1H3
InChIKey
YKOPAUBBWPNUKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.03
TPSA
29.96

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

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

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