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CAS 2160-63-6 5-BROMOTHIOPHENE-2-CARBOXALDEHYDE OXIME molecular structure lightbox
CAS RN: 2160-63-6

5-BROMOTHIOPHENE-2-CARBOXALDEHYDE OXIME

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250404 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250106 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20251024 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-103524
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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 2160-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

2160-63-6 / (NE)-N-[(5-bromothiophen-2-yl)methylidene]hydroxylamine

Standard CAS: 2160-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2160-63-6
Multi CAS
No
Molecular Formula
C5H4BrNOS
Molecular Weight
206.060000
Exact Mass
204.919700
SMILES
C1=C(SC(=C1)Br)/C=N/O
InChI
InChI=1S/C5H4BrNOS/c6-5-2-1-4(9-5)3-7-8/h1-3,8H/b7-3+
InChIKey
URLSTLFAZRSULI-XVNBXDOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.4
TPSA
32.59

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.7
Consensus LogP
2.35
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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