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CAS 6127-18-0 2-CYANO-N-(4-METHYLPHENYL)ETHANETHIOAMIDE molecular structure lightbox
CAS RN: 6127-18-0

2-CYANO-N-(4-METHYLPHENYL)ETHANETHIOAMIDE

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 100mg In stock Inquiry
Batchno.20250608 1g In stock Inquiry
Batchno.20260530 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-170060
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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, 5g
  • Available purity: ≥95%
  • 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 6127-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

6127-18-0 / 4-bromo-2-methyl-1H-indole

Standard CAS: 6127-18-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6127-18-0
Multi CAS
Yes
Molecular Formula
BC9H8Rn
Molecular Weight
210.070000
Exact Mass
208.984010
InChI
InChI=1S/C9H8BrN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,11H,1H3
InChIKey
MXRPXKYWAYTGJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond donors
1
Molar refractivity
50.74
TPSA
15.79

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.3
Consensus LogP
3.13
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

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

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