![CAS 115010-10-1 BENZO[1,3]DIOXOLE-5-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/115010-10-1.gif)
CAS RN: 115010-10-1
BENZO[1,3]DIOXOLE-5-SULFONYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
- Product code: SSC-014701
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
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
115010-10-1 / 1,3-benzodioxole-5-sulfonyl chloride
1,3-benzodioxole-5-sulfonyl chloride | DTXSID30406773 | RefChem:217958
Basic Information
CAS
115010-10-1
Multi CAS
No
Molecular Formula
C7H5ClO4S
Molecular Weight
220.630000
Exact Mass
219.959708
SMILES
C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClO4S/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChIKey
ICUBASIDCXDQAW-UHFFFAOYSA-N
Synonyms
1,3-benzodioxole-5-sulfonyl chloride
DTXSID30406773
RefChem:217958
DTXCID80357625
695-603-4
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.6
TPSA
52.6
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.6
Consensus LogP
1.37
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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