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CAS 13191-36-1 2,5-Dibromo-3-methylthiophene molecular structure lightbox
CAS RN: 13191-36-1

2,5-Dibromo-3-methylthiophene

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 100g In stock Inquiry
Batchno.20250518 25g In stock Inquiry
Batchno.20250503 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250122 100g In stock Shanghai Inquiry
Batchno.20250402 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250420 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251204 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-038984
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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: 100g
  • 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 13191-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

13191-36-1 / 2,5-dibromo-3-methylthiophene

Standard CAS: 13191-36-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13191-36-1
Multi CAS
No
Molecular Formula
C5H4Br2S
Molecular Weight
255.960000
Exact Mass
255.838000
SMILES
CC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
InChIKey
IHFXZROPBCBLLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
44.46
TPSA
28.2000

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
4
Consensus LogP
3.58
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-1.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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