[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol

C11H14O2S2 — CID 151184902

IUPAC[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
SMILESOCC1SC(c2ccccc2)SC1CO
InChIInChI=1S/C11H14O2S2/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2
InChIKeyNFBRNGOPAVVOJR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.89
Rot. Bonds3

About [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol

[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol (PubChem CID 151184902) has the molecular formula C11H14O2S2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
PubChem CID151184902
Molecular FormulaC11H14O2S2
Molecular Weight242.36 g/mol
Exact Mass242.04
IUPAC Name[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
SMILESOCC1SC(c2ccccc2)SC1CO
InChIInChI=1S/C11H14O2S2/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2
InChIKeyNFBRNGOPAVVOJR-UHFFFAOYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol
CID 10425675
[2-(4-phenylphenyl)-1,3-dithiol-4-yl]methanol
CID 141027854
(2S,3R)-2-ethyl-3-phenylthiirane
CID 134927560
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
2,3-diphenylcyclopropan-1-ol
CID 15400659
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol
CID 135009649
(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
CID 168925086
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
CID 54650611

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol (CID 151184902) is [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol is OCC1SC(c2ccccc2)SC1CO.
What is the InChIKey of [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol?
The InChIKey is NFBRNGOPAVVOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S2/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2.
What are the key properties of [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol?
[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol has a molecular weight of 242.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol is sourced from PubChem (CID 151184902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).