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CAS 1121-24-0 2-Hydroxybenzenethiol molecular structure lightbox
CAS RN: 1121-24-0

2-Hydroxybenzenethiol

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250926 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250315 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTH1177
  • Purity/Analytical Methods: >97.0%(GC)
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1121-24-0 / 2-sulfanylphenol

2-Hydroxythiophenol | 2-Mercaptophenol | Phenol, 2-mercapto-

Standard CAS: 1121-24-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1121-24-0
Multi CAS
Yes
Molecular Formula
C6H6OS
Molecular Weight
126.180000
Exact Mass
126.013936
SMILES
C1=CC=C(C(=C1)O)S
InChI
InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey
VMKYTRPNOVFCGZ-UHFFFAOYSA-N
Synonyms
2-Hydroxythiophenol 2-Mercaptophenol Phenol, 2-mercapto- o-Mercaptophenol o-Hydroxythiophenol

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
1.7
Consensus LogP
1.62
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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (83.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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