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CAS 27998-62-5 Ethane, 1-chloro-2-(ethylsulfinyl)- molecular structure lightbox
CAS RN: 27998-62-5

Ethane, 1-chloro-2-(ethylsulfinyl)-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 100mg In stock Shanghai Inquiry
Batchno.20260315 1g In stock Shanghai Inquiry
Batchno.20260501 250mg In stock Shanghai Inquiry
  • Product code: SSC-128541
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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: ≥97%
  • 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 27998-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

27998-62-5 / 1-chloro-2-ethylsulfinylethane

Standard CAS: 27998-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27998-62-5
Multi CAS
No
Molecular Formula
C4H9ClOS
Molecular Weight
140.630000
Exact Mass
140.006264
SMILES
CCS(=O)CCCl
InChI
InChI=1S/C4H9ClOS/c1-2-7(6)4-3-5/h2-4H2,1H3
InChIKey
LIPRCTSGLFLUNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
34.27
TPSA
17.07

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
0.2
Consensus LogP
0.69
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-2.87

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

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