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CAS 1093878-42-2 4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide molecular structure lightbox
CAS RN: 1093878-42-2

4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 1g In stock Shanghai Inquiry
  • Product code: SSC-010666
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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: ≥98%
  • 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 1093878-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

1093878-42-2 / 4-(4-bromophenyl)-1,4-thiazinane 1,1-dioxide

DTXSID90659743 | 4-(4-Bromophenyl)-1lambda~6~,4-thiazinane-1,1-dione | RefChem:1069935

Standard CAS: 1093878-42-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1093878-42-2
Multi CAS
Yes
Molecular Formula
C10H12BrNO2S
Molecular Weight
290.180000
Exact Mass
288.977210
SMILES
C1CS(=O)(=O)CCN1C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO2S/c11-9-1-3-10(4-2-9)12-5-7-15(13,14)8-6-12/h1-4H,5-8H2
InChIKey
YDNMNPHZKMEGDR-UHFFFAOYSA-N
Synonyms
DTXSID90659743 4-(4-Bromophenyl)-1lambda~6~,4-thiazinane-1,1-dione RefChem:1069935 DTXCID10610492 4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.01
TPSA
37.38

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.9
Consensus LogP
1.69
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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