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CAS 66304-01-6 3H-1,2-Benzodithiol-3-one 1,1-Dioxide molecular structure lightbox
CAS RN: 66304-01-6

3H-1,2-Benzodithiol-3-one 1,1-Dioxide

  • Product code: SSC-175946
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 66304-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

66304-01-6 / 1,1-dioxo-1lambda6,2-benzodithiol-3-one

Standard CAS: 66304-01-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66304-01-6
Multi CAS
Yes
Molecular Formula
C7H4O3S2
Molecular Weight
200.200000
Exact Mass
199.960186
InChI
InChI=1S/C7H4O3S2/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
InChIKey
JUDOLRSMWHVKGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
45.55
TPSA
51.21

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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