2-methoxybenzenethiol;sulfane

C7H10OS2 — CID 141393821

IUPAC2-methoxybenzenethiol;sulfane
SMILESCOc1ccccc1S.S
InChIInChI=1S/C7H8OS.H2S/c1-8-6-4-2-3-5-7(6)9;/h2-5,9H,1H3;1H2
InChIKeyYWGWFMFHGVKWTI-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.10
Rot. Bonds1

About 2-methoxybenzenethiol;sulfane

2-methoxybenzenethiol;sulfane (PubChem CID 141393821) has the molecular formula C7H10OS2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-methoxybenzenethiol;sulfane.

Molecular Properties

Compound Name2-methoxybenzenethiol;sulfane
PubChem CID141393821
Molecular FormulaC7H10OS2
Molecular Weight174.29 g/mol
Exact Mass174.02
IUPAC Name2-methoxybenzenethiol;sulfane
SMILESCOc1ccccc1S.S
InChIInChI=1S/C7H8OS.H2S/c1-8-6-4-2-3-5-7(6)9;/h2-5,9H,1H3;1H2
InChIKeyYWGWFMFHGVKWTI-UHFFFAOYSA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
(2-methoxy-6-sulfanylphenyl)methanol
CID 130129836
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
4-fluoro-2-methoxybenzenethiol
CID 22139691
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
methanethiol;2-methoxyphenol
CID 141484211
1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 18915942
2-methoxybenzene-1,4-dithiol
CID 91874397
hydroxy-tris(2-methoxyphenyl)phosphanium
CID 87283102
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzenethiol;sulfane?
The IUPAC name of 2-methoxybenzenethiol;sulfane (CID 141393821) is 2-methoxybenzenethiol;sulfane.
What is the SMILES notation for 2-methoxybenzenethiol;sulfane?
The canonical SMILES for 2-methoxybenzenethiol;sulfane is COc1ccccc1S.S.
What is the InChIKey of 2-methoxybenzenethiol;sulfane?
The InChIKey is YWGWFMFHGVKWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS.H2S/c1-8-6-4-2-3-5-7(6)9;/h2-5,9H,1H3;1H2.
What are the key properties of 2-methoxybenzenethiol;sulfane?
2-methoxybenzenethiol;sulfane has a molecular weight of 174.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzenethiol;sulfane is sourced from PubChem (CID 141393821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).