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CAS 134135-41-4 5-(BROMOMETHYL)THIOPHENE-2-CARBONITRILE molecular structure lightbox
CAS RN: 134135-41-4

5-(BROMOMETHYL)THIOPHENE-2-CARBONITRILE

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 100mg In stock Inquiry
Batchno.20250423 10mg In stock Inquiry
Batchno.20251121 1g In stock Inquiry
Batchno.20250710 250mg In stock Inquiry
Batchno.20251017 25mg In stock Inquiry
Batchno.20250414 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251031 1g In stock Shanghai Inquiry
Batchno.20260517 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251217 25g In stock Shanghai Inquiry
Batchno.20260319 5g In stock Shanghai Inquiry
  • Product code: SSC-041466
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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: ＞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 134135-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

134135-41-4 / 5-(bromomethyl)thiophene-2-carbonitrile

Standard CAS: 134135-41-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134135-41-4
Multi CAS
No
Molecular Formula
C6H4BrNS
Molecular Weight
202.070000
Exact Mass
200.924780
SMILES
C1=C(SC(=C1)C#N)CBr
InChI
InChI=1S/C6H4BrNS/c7-3-5-1-2-6(4-8)9-5/h1-2H,3H2
InChIKey
GOXDYXBTGGZHMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.67
TPSA
23.79

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.17

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

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