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CAS 1192-16-1 2,3-dihydrothiophene 1,1-dioxide molecular structure lightbox
CAS RN: 1192-16-1

2,3-dihydrothiophene 1,1-dioxide

  • Product code: SSC-019677
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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: 5g
  • 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 1192-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1192-16-1 / 2,3-dihydrothiophene 1,1-dioxide

2-Sulfolene | THIOPHENE, 2,3-DIHYDRO-, 1,1-DIOXIDE | Sulfol-2-ene

Standard CAS: 1192-16-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192-16-1
Multi CAS
No
Molecular Formula
C4H6O2S
Molecular Weight
118.160000
Exact Mass
118.008851
SMILES
C1CS(=O)(=O)C=C1
InChI
InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2
InChIKey
DYGJDTCGUUMUBL-UHFFFAOYSA-N
Synonyms
2-Sulfolene THIOPHENE, 2,3-DIHYDRO-, 1,1-DIOXIDE Sulfol-2-ene NSC 101883 BRN 0108434

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
27.54
TPSA
34.14

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
0.1
Consensus LogP
0.23
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-3.21

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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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