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CAS 106584-13-8 2 (2-THIENYL) PHENOL molecular structure lightbox
CAS RN: 106584-13-8

2 (2-THIENYL) PHENOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS106584-13-8
  • Purity/Analytical Methods: >99.0%
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106584-13-8 / 2-thiophen-2-ylphenol

2-(thiophen-2-yl)phenol | DTXSID90393695 | RefChem:254831

Standard CAS: 106584-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106584-13-8
Multi CAS
No
Molecular Formula
C10H8OS
Molecular Weight
176.240000
Exact Mass
176.029586
SMILES
C1=CC=C(C(=C1)C2=CC=CS2)O
InChI
InChI=1S/C10H8OS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7,11H
InChIKey
IGXFRPBULGVNKY-UHFFFAOYSA-N
Synonyms
2-(thiophen-2-yl)phenol DTXSID90393695 RefChem:254831 DTXCID80344555 826-707-1

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.42
TPSA
20.23

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

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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