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CAS 13414-95-4 6,7-Dihydro-4-benzo[b]thiophenone molecular structure lightbox
CAS RN: 13414-95-4

6,7-Dihydro-4-benzo[b]thiophenone

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250829 100g In stock Shanghai, Wuhan Inquiry
Batchno.20260619 10g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260130 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250219 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250813 500g In stock Shanghai Inquiry
Batchno.20251204 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250806 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-041483
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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, 0.25g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • 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 13414-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 3 In Stock Beijing Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Beijing Inquiry
100g >97% 1 In Stock Shanghai Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

13414-95-4 / 6,7-dihydro-5H-1-benzothiophen-4-one

Standard CAS: 13414-95-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13414-95-4
Multi CAS
No
Molecular Formula
C8H8OS
Molecular Weight
152.220000
Exact Mass
152.029586
SMILES
C1CC2=C(C=CS2)C(=O)C1
InChI
InChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKey
GJEKNELSXNSYAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
H-bond acceptors
2
Molar refractivity
41.59
TPSA
17.07

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
1.7
Consensus LogP
1.99
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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