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CAS 16895-58-2 THIOCHROMAN-3-ONE molecular structure lightbox
CAS RN: 16895-58-2

THIOCHROMAN-3-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-073617
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16895-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Beijing Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry

16895-58-2 / 4H-thiochromen-3-one

Standard CAS: 16895-58-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16895-58-2
Multi CAS
No
Molecular Formula
C9H8OS
Molecular Weight
164.230000
Exact Mass
164.029586
SMILES
C1C(=O)CSC2=CC=CC=C21
InChI
InChI=1S/C9H8OS/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2
InChIKey
KLYMTKVJYHTFIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
45.88
TPSA
17.07

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.37

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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