Phenol, o-mercapto-(6CI,7CI,8CI)

HCID 70718

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Basic information

CAS: 1121-24-0
Standard SMILES: Oc1ccccc1S
InChIKey: VMKYTRPNOVFCGZ-UHFFFAOYSA-N
Molecular formula: C6H6OS
Average molar mass: 126.18 g/mol
Monoisotopic mass: 126.01393581

Names & identifiers

Preferred name: Phenol, o-mercapto-(6CI,7CI,8CI)
IUPAC: 2-sulfanylphenol

Names & synonyms

2-Hydroxythiophenol2-Mercaptophenol1121-24-0Phenol, 2-mercapto-o-Mercaptophenolo-Hydroxythiophenolo-Hydroxybenzenothiol2-HydroxybenzenothiolEINECS 214-326-8DTXSID80149906Phenol, o-mercapto-(6CI,7CI,8CI)RefChem:861377

Show more names

DTXCID1072397214-326-82-Sulfanylphenol2-HydroxybenzenethiolmercaptophenolMFCD000404472-Hydroxy thiophenolPhenol, mercapto-

Database identifiers

CAS: 1121-24-0
PubChem CID: 70718
DTXSID: DTXSID80149906
ChEMBL: CHEMBL1233444
EC Number: 214-326-8
Nikkaji: J60.255H

Properties

Computed structural propertiesFilling in

XLogP: 1.7
Topological polar surface area: 21.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.