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CAS 17115-47-8 Tetrahydro-3-thiophenesulfonyl chloride 1,1-dioxide molecular structure lightbox
CAS RN: 17115-47-8

Tetrahydro-3-thiophenesulfonyl chloride 1,1-dioxide

  • Product code: SSC-075395
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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: 0.1g
  • Available purity: ≥95%
  • 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 17115-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

17115-47-8 / 1,1-dioxothiolane-3-sulfonyl chloride

Standard CAS: 17115-47-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17115-47-8
Multi CAS
No
Molecular Formula
C4H7ClO4S2
Molecular Weight
218.700000
Exact Mass
217.947429
SMILES
C1CS(=O)(=O)CC1S(=O)(=O)Cl
InChI
InChI=1S/C4H7ClO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h4H,1-3H2
InChIKey
AOAOPMCGCFWIHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.83
TPSA
68.28

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.22
Consensus LogP
-0.16
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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