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CAS 3463-03-4 3-(methylsulfanyl)benzenol molecular structure lightbox
CAS RN: 3463-03-4

3-(methylsulfanyl)benzenol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251008 100mg In stock Shandong Inquiry
Batchno.20251104 1g In stock Shanghai, Shandong Inquiry
Batchno.20250929 250mg In stock Shandong, Hebei Inquiry
  • Product code: starshine_CAS3463-03-4
  • Purity/Analytical Methods: >99.0%
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3463-03-4 / 3-methylsulfanylphenol

Standard CAS: 3463-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3463-03-4
Multi CAS
No
Molecular Formula
C7H8OS
Molecular Weight
140.200000
Exact Mass
140.029586
InChI
InChI=1S/C7H8OS/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChIKey
LCNLSFRRONIQFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.89
TPSA
20.23

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.07

Drug-likeness / Medicinal Chemistry

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

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