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CAS 1026915-82-1 2-methoxy-6-(methylsulfanyl)aniline molecular structure lightbox
CAS RN: 1026915-82-1

2-methoxy-6-(methylsulfanyl)aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-004000
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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 1026915-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1026915-82-1 / 2-methoxy-6-methylsulfanylaniline

2-methoxy-6-(methylsulfanyl)aniline | MFCD20716846 | 2-methoxy-6-methylsulfanylaniline

Standard CAS: 1026915-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1026915-82-1
Multi CAS
No
Molecular Formula
C8H11NOS
Molecular Weight
169.250000
Exact Mass
169.056135
SMILES
COC1=C(C(=CC=C1)SC)N
InChI
InChI=1S/C8H11NOS/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3
InChIKey
NVTWONXOFDXVOM-UHFFFAOYSA-N
Synonyms
2-methoxy-6-(methylsulfanyl)aniline MFCD20716846 2-methoxy-6-methylsulfanylaniline 2-methoxy-6-methylsulfanyl-aniline 2-Methoxy-6-(methylthio)aniline

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.19
TPSA
35.25

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.7
Consensus LogP
1.82
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.33

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

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