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CAS 637-89-8 4-Hydroxybenzenethiol molecular structure lightbox
CAS RN: 637-89-8

4-Hydroxybenzenethiol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTH0662
  • Purity/Analytical Methods: >97.0%(GC)(T)
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637-89-8 / 4-sulfanylphenol

Standard CAS: 637-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
637-89-8
Multi CAS
Yes
Molecular Formula
C6H6OS
Molecular Weight
126.180000
Exact Mass
126.013936
InChI
InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H
InChIKey
BXAVKNRWVKUTLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.36
TPSA
20.23

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.1
Consensus LogP
1.42
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.3

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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