2-methyl-4-(trioxidanylsulfanyl)phenol

C7H8O4S — CID 59344040

IUPAC2-methyl-4-(trioxidanylsulfanyl)phenol
SMILESCc1cc(SOOO)ccc1O
InChIInChI=1S/C7H8O4S/c1-5-4-6(12-11-10-9)2-3-7(5)8/h2-4,8-9H,1H3
InChIKeySWNRBGDHBMXYFP-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-4-(trioxidanylsulfanyl)phenol

2-methyl-4-(trioxidanylsulfanyl)phenol (PubChem CID 59344040) has the molecular formula C7H8O4S and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-methyl-4-(trioxidanylsulfanyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(trioxidanylsulfanyl)phenol
PubChem CID59344040
Molecular FormulaC7H8O4S
Molecular Weight188.20 g/mol
Exact Mass188.01
IUPAC Name2-methyl-4-(trioxidanylsulfanyl)phenol
SMILESCc1cc(SOOO)ccc1O
InChIInChI=1S/C7H8O4S/c1-5-4-6(12-11-10-9)2-3-7(5)8/h2-4,8-9H,1H3
InChIKeySWNRBGDHBMXYFP-UHFFFAOYSA-N
XLogP2.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-4-(trioxidanylsulfanyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trioxidanylsulfanyl)phenol
CID 140793190
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
CID 161479517
6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
CID 59853197
1-(2-chloroethylsulfonyl)-2-methyl-4-(trioxidanylsulfanyl)benzene
CID 20688493
2-iodoethyl 2-methyl-4-(trioxidanylsulfanyl)benzoate
CID 20582484
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630
5-hydroxy-2-methyl-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 58651758
4-(2,2-dimethylpropylsulfanyl)-2-methylphenol
CID 170743986
4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
CID 172565208
4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol
CID 172565287
2,4-dimethylphenol
CID 67713801
2-phenyl-5-(trioxidanylsulfanyl)benzotriazole
CID 23539506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trioxidanylsulfanyl)phenol?
The IUPAC name of 2-methyl-4-(trioxidanylsulfanyl)phenol (CID 59344040) is 2-methyl-4-(trioxidanylsulfanyl)phenol.
What is the SMILES notation for 2-methyl-4-(trioxidanylsulfanyl)phenol?
The canonical SMILES for 2-methyl-4-(trioxidanylsulfanyl)phenol is Cc1cc(SOOO)ccc1O.
What is the InChIKey of 2-methyl-4-(trioxidanylsulfanyl)phenol?
The InChIKey is SWNRBGDHBMXYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S/c1-5-4-6(12-11-10-9)2-3-7(5)8/h2-4,8-9H,1H3.
What are the key properties of 2-methyl-4-(trioxidanylsulfanyl)phenol?
2-methyl-4-(trioxidanylsulfanyl)phenol has a molecular weight of 188.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trioxidanylsulfanyl)phenol is sourced from PubChem (CID 59344040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).