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CAS 6258-60-2 4-Methoxy-α-toluenethiol molecular structure lightbox
CAS RN: 6258-60-2

4-Methoxy-α-toluenethiol

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260501 100g Out of stock 5-7 business days Inquiry
Batchno.20260609 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250627 25g In stock Shanghai, Shandong Inquiry
Batchno.20251014 500g In stock Shandong Inquiry
Batchno.20250420 5g In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTM1165
  • Purity/Analytical Methods: >98.0%(GC)
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6258-60-2 / (4-methoxyphenyl)methanethiol

Standard CAS: 6258-60-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6258-60-2
Multi CAS
Yes
Molecular Formula
C8H10OS
Molecular Weight
154.230000
Exact Mass
154.045236
InChI
InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
InChIKey
PTDVPWWJRCOIIO-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
45.68
TPSA
9.23

LogP / Solubility

WLOGP
2.13
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.03
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)
-2.15

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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