1,3-dithian-2-yl(diphenyl)methanol

C17H18OS2 — CID 11109443

IUPAC1,3-dithian-2-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1SCCCS1
InChIInChI=1S/C17H18OS2/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-19-12-7-13-20-16/h1-6,8-11,16,18H,7,12-13H2
InChIKeyYUPQKLKTSXXYFK-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.12
Rot. Bonds3

About 1,3-dithian-2-yl(diphenyl)methanol

1,3-dithian-2-yl(diphenyl)methanol (PubChem CID 11109443) has the molecular formula C17H18OS2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1,3-dithian-2-yl(diphenyl)methanol.

Molecular Properties

Compound Name1,3-dithian-2-yl(diphenyl)methanol
PubChem CID11109443
Molecular FormulaC17H18OS2
Molecular Weight302.46 g/mol
Exact Mass302.08
IUPAC Name1,3-dithian-2-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1SCCCS1
InChIInChI=1S/C17H18OS2/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-19-12-7-13-20-16/h1-6,8-11,16,18H,7,12-13H2
InChIKeyYUPQKLKTSXXYFK-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dithian-2-yl(diphenyl)methanol?
The IUPAC name of 1,3-dithian-2-yl(diphenyl)methanol (CID 11109443) is 1,3-dithian-2-yl(diphenyl)methanol.
What is the SMILES notation for 1,3-dithian-2-yl(diphenyl)methanol?
The canonical SMILES for 1,3-dithian-2-yl(diphenyl)methanol is OC(c1ccccc1)(c1ccccc1)C1SCCCS1.
What is the InChIKey of 1,3-dithian-2-yl(diphenyl)methanol?
The InChIKey is YUPQKLKTSXXYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS2/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-19-12-7-13-20-16/h1-6,8-11,16,18H,7,12-13H2.
What are the key properties of 1,3-dithian-2-yl(diphenyl)methanol?
1,3-dithian-2-yl(diphenyl)methanol has a molecular weight of 302.46 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithian-2-yl(diphenyl)methanol is sourced from PubChem (CID 11109443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).