hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane

C11H10O3S2 — CID 56625177

IUPAChydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)OCc1cccc2ccccc12
InChIInChI=1S/C11H10O3S2/c12-16(13,15)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,12,13,15)
InChIKeyHFSDYRKGXMCTAN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.49
Rot. Bonds3

About hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane

hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 56625177) has the molecular formula C11H10O3S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane
PubChem CID56625177
Molecular FormulaC11H10O3S2
Molecular Weight254.33 g/mol
Exact Mass254.01
IUPAC Namehydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)OCc1cccc2ccccc12
InChIInChI=1S/C11H10O3S2/c12-16(13,15)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,12,13,15)
InChIKeyHFSDYRKGXMCTAN-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium naphthalen-1-ylmethyl hydrogen sulfate
CID 23620056
1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonic acid
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ethane-1,2-diol;2-naphthalen-1-ylethyl hydrogen sulfate
CID 87696257
[dimethyl(naphthalen-1-ylmethyl)-λ4-sulfanyl] hydrogen sulfate
CID 134929077
azane;1-ethylnaphthalene
CID 19048185
formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
CID 70221186
naphthalen-1-ylmethyl propanoate
CID 13262702
1-(phenoxymethyl)naphthalene
CID 588110
1-pentylnaphthalene;sulfuric acid
CID 172842201
3-(hydroxysulfonothioyloxymethyl)aniline
CID 154085420
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
benzyl-(4-hydroxyphenyl)-methylsulfanium;naphthalen-1-ylmethyl sulfate
CID 161046977

Frequently Asked Questions

What is the IUPAC name of hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane (CID 56625177) is hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane is O=S(O)(=S)OCc1cccc2ccccc12.
What is the InChIKey of hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is HFSDYRKGXMCTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S2/c12-16(13,15)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,12,13,15).
What are the key properties of hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane?
hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 254.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(naphthalen-1-ylmethoxy)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 56625177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).