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CAS 54293-04-8 Benzenamine,4-[(methylthio)methyl]- molecular structure lightbox
CAS RN: 54293-04-8

Benzenamine,4-[(methylthio)methyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-161927
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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: ≥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 54293-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

54293-04-8 / 4-(methylsulfanylmethyl)aniline

Standard CAS: 54293-04-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54293-04-8
Multi CAS
Yes
Molecular Formula
C8H11NS
Molecular Weight
153.250000
Exact Mass
153.061221
InChI
InChI=1S/C8H11NS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3
InChIKey
VIZLWRXSTIBCDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.07
TPSA
26.02

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
1.1
Consensus LogP
1.7
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.14

Drug-likeness / Medicinal Chemistry

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

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