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CAS 13195-50-1 2-Bromo-5-nitrothiophene molecular structure lightbox
CAS RN: 13195-50-1

2-Bromo-5-nitrothiophene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-039009
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%, ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13195-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

13195-50-1 / 2-bromo-5-nitrothiophene

Standard CAS: 13195-50-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13195-50-1
Multi CAS
No
Molecular Formula
C4H2BrNO2S
Molecular Weight
208.040000
Exact Mass
206.898960
SMILES
C1=C(SC(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C4H2BrNO2S/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChIKey
ZPNFMDYBAQDFDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
38.67
TPSA
43.14

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.8
Consensus LogP
2.45
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.27

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
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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