methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane

C8H10O2S2 — CID 53443207

IUPACmethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
SMILESCS(=O)(=S)OCc1ccccc1
InChIInChI=1S/C8H10O2S2/c1-12(9,11)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyVWGMLICGELEWLM-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.49
Rot. Bonds3

About methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane

methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane (PubChem CID 53443207) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namemethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
PubChem CID53443207
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Namemethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
SMILESCS(=O)(=S)OCc1ccccc1
InChIInChI=1S/C8H10O2S2/c1-12(9,11)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyVWGMLICGELEWLM-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane (CID 53443207) is methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane is CS(=O)(=S)OCc1ccccc1.
What is the InChIKey of methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
The InChIKey is VWGMLICGELEWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-12(9,11)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane has a molecular weight of 202.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 53443207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).