2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene

C16H16OS — CID 132573868

IUPAC2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene
SMILESO=S(c1ccccc1)C1CCc2ccccc2C1
InChIInChI=1S/C16H16OS/c17-18(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-9,16H,10-12H2
InChIKeySNSAXOZYVXENHM-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.35
Rot. Bonds2

About 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene

2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 132573868) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID132573868
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene
SMILESO=S(c1ccccc1)C1CCc2ccccc2C1
InChIInChI=1S/C16H16OS/c17-18(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-9,16H,10-12H2
InChIKeySNSAXOZYVXENHM-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(benzenesulfinyl)-3,4-dihydro-2H-chromene
CID 100929300
3-(benzenesulfinyl)azetidine
CID 126978660
3-(benzenesulfinyl)pyrrolidine
CID 84666467
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(1S,4R,7R)-4-(benzenesulfinyl)-1-methyl-2-methylidene-8-oxabicyclo[5.1.0]octane
CID 15497851
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503
trans-(1R,2R)-2-(benzenesulfinyl)cycloheptan-1-ol
CID 101030162
trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol
CID 101030165
(1S,2Z,4R,7R)-4-(benzenesulfinyl)-2-ethylidene-1-methyl-8-oxabicyclo[5.1.0]octane
CID 15497852
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene (CID 132573868) is 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene is O=S(c1ccccc1)C1CCc2ccccc2C1.
What is the InChIKey of 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SNSAXOZYVXENHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c17-18(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-9,16H,10-12H2.
What are the key properties of 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene?
2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 256.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 132573868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).