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

C9H12O2S2 — CID 24777605

IUPAC1,3-dithian-2-yl(furan-2-yl)methanol
SMILESOC(c1ccco1)C1SCCCS1
InChIInChI=1S/C9H12O2S2/c10-8(7-3-1-4-11-7)9-12-5-2-6-13-9/h1,3-4,8-10H,2,5-6H2
InChIKeyRHPMHDNOLUHAHE-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.51
Rot. Bonds2

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

1,3-dithian-2-yl(furan-2-yl)methanol (PubChem CID 24777605) has the molecular formula C9H12O2S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1,3-dithian-2-yl(furan-2-yl)methanol.

Molecular Properties

Compound Name1,3-dithian-2-yl(furan-2-yl)methanol
PubChem CID24777605
Molecular FormulaC9H12O2S2
Molecular Weight216.33 g/mol
Exact Mass216.03
IUPAC Name1,3-dithian-2-yl(furan-2-yl)methanol
SMILESOC(c1ccco1)C1SCCCS1
InChIInChI=1S/C9H12O2S2/c10-8(7-3-1-4-11-7)9-12-5-2-6-13-9/h1,3-4,8-10H,2,5-6H2
InChIKeyRHPMHDNOLUHAHE-UHFFFAOYSA-N
XLogP2.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-cyclopropyl(furan-2-yl)methanol
CID 39235067
furan-2-yl-[(2R)-pyrrolidin-2-yl]methanol
CID 164662005
bis(1,3-dithian-2-yl)methanol
CID 15195213
furan-2-yl(piperidin-4-yl)methanol
CID 55269917
furan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115797501
(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one
CID 11735694
(2-ethylcyclohexyl)-(furan-2-yl)methanol
CID 63861285
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
(R)-furan-2-yl-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol
CID 102415614
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624

Frequently Asked Questions

What is the IUPAC name of 1,3-dithian-2-yl(furan-2-yl)methanol?
The IUPAC name of 1,3-dithian-2-yl(furan-2-yl)methanol (CID 24777605) is 1,3-dithian-2-yl(furan-2-yl)methanol.
What is the SMILES notation for 1,3-dithian-2-yl(furan-2-yl)methanol?
The canonical SMILES for 1,3-dithian-2-yl(furan-2-yl)methanol is OC(c1ccco1)C1SCCCS1.
What is the InChIKey of 1,3-dithian-2-yl(furan-2-yl)methanol?
The InChIKey is RHPMHDNOLUHAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S2/c10-8(7-3-1-4-11-7)9-12-5-2-6-13-9/h1,3-4,8-10H,2,5-6H2.
What are the key properties of 1,3-dithian-2-yl(furan-2-yl)methanol?
1,3-dithian-2-yl(furan-2-yl)methanol has a molecular weight of 216.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithian-2-yl(furan-2-yl)methanol is sourced from PubChem (CID 24777605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).