1,4-dithian-2-yl(naphthalen-1-yl)methanol

C15H16OS2 — CID 79973039

IUPAC1,4-dithian-2-yl(naphthalen-1-yl)methanol
SMILESOC(c1cccc2ccccc12)C1CSCCS1
InChIInChI=1S/C15H16OS2/c16-15(14-10-17-8-9-18-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14-16H,8-10H2
InChIKeyKGQDMYXXMAEVFZ-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.72
Rot. Bonds2

About 1,4-dithian-2-yl(naphthalen-1-yl)methanol

1,4-dithian-2-yl(naphthalen-1-yl)methanol (PubChem CID 79973039) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1,4-dithian-2-yl(naphthalen-1-yl)methanol.

Molecular Properties

Compound Name1,4-dithian-2-yl(naphthalen-1-yl)methanol
PubChem CID79973039
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name1,4-dithian-2-yl(naphthalen-1-yl)methanol
SMILESOC(c1cccc2ccccc12)C1CSCCS1
InChIInChI=1S/C15H16OS2/c16-15(14-10-17-8-9-18-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14-16H,8-10H2
InChIKeyKGQDMYXXMAEVFZ-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79966450
(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol
CID 79973241
1-(1,4-dithian-2-yl)-3-phenylpropan-1-ol
CID 79972288
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-naphthalen-1-yl-1,4-dithiane
CID 54325650
1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol
CID 79972858
1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143696
1,4-dithian-2-yl-(3-methoxyphenyl)methanol
CID 79972446
isoquinolin-5-yl(thiolan-3-yl)methanol
CID 105094590
cyclohex-3-en-1-yl(naphthalen-1-yl)methanol
CID 63900357
N-naphthalen-1-yl-1,4-dithiane-2-carboxamide
CID 112762776
2,3-dihydro-1H-inden-1-yl(naphthalen-1-yl)methanol
CID 65411181

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl(naphthalen-1-yl)methanol?
The IUPAC name of 1,4-dithian-2-yl(naphthalen-1-yl)methanol (CID 79973039) is 1,4-dithian-2-yl(naphthalen-1-yl)methanol.
What is the SMILES notation for 1,4-dithian-2-yl(naphthalen-1-yl)methanol?
The canonical SMILES for 1,4-dithian-2-yl(naphthalen-1-yl)methanol is OC(c1cccc2ccccc12)C1CSCCS1.
What is the InChIKey of 1,4-dithian-2-yl(naphthalen-1-yl)methanol?
The InChIKey is KGQDMYXXMAEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS2/c16-15(14-10-17-8-9-18-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14-16H,8-10H2.
What are the key properties of 1,4-dithian-2-yl(naphthalen-1-yl)methanol?
1,4-dithian-2-yl(naphthalen-1-yl)methanol has a molecular weight of 276.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl(naphthalen-1-yl)methanol is sourced from PubChem (CID 79973039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).