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CAS 97306-73-5 4-chlorotetrahydro-3-thiophenamine 1,1-dioxide HCl molecular structure lightbox
CAS RN: 97306-73-5

4-chlorotetrahydro-3-thiophenamine 1,1-dioxide HCl

  • Product code: SSC-212254
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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: 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 97306-73-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

97306-73-5 / 4-chloro-1,1-dioxothiolan-3-amine

Standard CAS: 97306-73-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97306-73-5
Multi CAS
Yes
Molecular Formula
C4H8CLNO2S
Molecular Weight
169.630000
Exact Mass
168.996427
InChI
InChI=1S/C4H8ClNO2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2,6H2
InChIKey
COPRYPAOGCTLCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.27
TPSA
60.16

LogP / Solubility

WLOGP
-0.65
MLOGP
-0.58
XLogP3
-0.8
Consensus LogP
-0.68
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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