methanethiol;2-methoxyphenol

C8H12O2S — CID 141484211

IUPACmethanethiol;2-methoxyphenol
SMILESCOc1ccccc1O.CS
InChIInChI=1S/C7H8O2.CH4S/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5,8H,1H3;2H,1H3
InChIKeyHWWDOSJTNSRHKZ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.95
Rot. Bonds1

About methanethiol;2-methoxyphenol

methanethiol;2-methoxyphenol (PubChem CID 141484211) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is methanethiol;2-methoxyphenol.

Molecular Properties

Compound Namemethanethiol;2-methoxyphenol
PubChem CID141484211
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Namemethanethiol;2-methoxyphenol
SMILESCOc1ccccc1O.CS
InChIInChI=1S/C7H8O2.CH4S/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5,8H,1H3;2H,1H3
InChIKeyHWWDOSJTNSRHKZ-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanethiol;2-methoxyphenol?
The IUPAC name of methanethiol;2-methoxyphenol (CID 141484211) is methanethiol;2-methoxyphenol.
What is the SMILES notation for methanethiol;2-methoxyphenol?
The canonical SMILES for methanethiol;2-methoxyphenol is COc1ccccc1O.CS.
What is the InChIKey of methanethiol;2-methoxyphenol?
The InChIKey is HWWDOSJTNSRHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.CH4S/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5,8H,1H3;2H,1H3.
What are the key properties of methanethiol;2-methoxyphenol?
methanethiol;2-methoxyphenol has a molecular weight of 172.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;2-methoxyphenol is sourced from PubChem (CID 141484211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).