2-naphthalen-1-ylsulfinylethanol

C12H12O2S — CID 134994715

IUPAC2-naphthalen-1-ylsulfinylethanol
SMILESO=S(CCO)c1cccc2ccccc12
InChIInChI=1S/C12H12O2S/c13-8-9-15(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2
InChIKeyFQSVXUFWSSJLCP-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.94
Rot. Bonds3

About 2-naphthalen-1-ylsulfinylethanol

2-naphthalen-1-ylsulfinylethanol (PubChem CID 134994715) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfinylethanol.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfinylethanol
PubChem CID134994715
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-naphthalen-1-ylsulfinylethanol
SMILESO=S(CCO)c1cccc2ccccc12
InChIInChI=1S/C12H12O2S/c13-8-9-15(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2
InChIKeyFQSVXUFWSSJLCP-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Ethenesulfonyl)naphthalene
CID 305562
(1-Naphthylthio)acetic acid
CID 575607
2,7-Nonadiyn-1-ol, 9-(2-naphthalenylsulfonyl)-
CID 10449069
2-(2-Naphthylsulfonyl)acetic acid
CID 515138
Propanoic acid, 3-(1-naphthalenylthio)-
CID 2817409
Naphthyl phenyl sulfoxide
CID 19876177
10-Naphthalen-2-ylsulfonyldeca-2,8-diyn-1-ol
CID 44326607
10-Naphthalen-1-ylsulfonyldeca-2,8-diyn-1-ol
CID 44326841
11-Naphthalen-2-ylsulfonylundeca-2,9-diyn-1-ol
CID 44326930
2-Naphthalen-2-ylsulfonyloxirane
CID 71659908
3-[2-[3-(Benzenesulfinyl)prop-1-ynyl]phenyl]prop-2-yn-1-ol
CID 145978335
1-(Prop-2-en-1-ylsulfanyl)naphthalene
CID 288031

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfinylethanol?
The IUPAC name of 2-naphthalen-1-ylsulfinylethanol (CID 134994715) is 2-naphthalen-1-ylsulfinylethanol.
What is the SMILES notation for 2-naphthalen-1-ylsulfinylethanol?
The canonical SMILES for 2-naphthalen-1-ylsulfinylethanol is O=S(CCO)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfinylethanol?
The InChIKey is FQSVXUFWSSJLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c13-8-9-15(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2.
What are the key properties of 2-naphthalen-1-ylsulfinylethanol?
2-naphthalen-1-ylsulfinylethanol has a molecular weight of 220.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfinylethanol is sourced from PubChem (CID 134994715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).