3-(1,3-dithian-2-yl)propan-1-ol

C7H14OS2 — CID 10866916

IUPAC3-(1,3-dithian-2-yl)propan-1-ol
SMILESOCCCC1SCCCS1
InChIInChI=1S/C7H14OS2/c8-4-1-3-7-9-5-2-6-10-7/h7-8H,1-6H2
InChIKeyHAAITIBBBQSZDQ-UHFFFAOYSA-N
MW178.32 g/mol
LogP1.96
Rot. Bonds3

About 3-(1,3-dithian-2-yl)propan-1-ol

3-(1,3-dithian-2-yl)propan-1-ol (PubChem CID 10866916) has the molecular formula C7H14OS2 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3-(1,3-dithian-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dithian-2-yl)propan-1-ol
PubChem CID10866916
Molecular FormulaC7H14OS2
Molecular Weight178.32 g/mol
Exact Mass178.05
IUPAC Name3-(1,3-dithian-2-yl)propan-1-ol
SMILESOCCCC1SCCCS1
InChIInChI=1S/C7H14OS2/c8-4-1-3-7-9-5-2-6-10-7/h7-8H,1-6H2
InChIKeyHAAITIBBBQSZDQ-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrothiopyran-3-ol
CID 90725
(2-Methyl[1,3]dithian-2-yl)methanol
CID 583620
1-[1,3]Dithian-2-ylpropan-2-ol
CID 601195
1,3-Dithiane-2-butanol
CID 12233632
2-(1,3-Dithian-2-yl)ethan-1-ol
CID 12778191
1,4-Dithiane-2-methanol
CID 14743130
(1,3-Dithian-2-yl)methanol
CID 11240583
1,3-Dithian-5-ylmethanol
CID 11593461
(alphaS)-alpha-Methyl-1,3-dithiane-2-ethanol
CID 11745201
2-(2-Methyl-1,3-dithian-2-yl)ethanol
CID 14508431
Thian-2-ol
CID 14959631
(r)-3-Hydroxytetrahydrothiapyran
CID 7058058

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dithian-2-yl)propan-1-ol?
The IUPAC name of 3-(1,3-dithian-2-yl)propan-1-ol (CID 10866916) is 3-(1,3-dithian-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3-dithian-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,3-dithian-2-yl)propan-1-ol is OCCCC1SCCCS1.
What is the InChIKey of 3-(1,3-dithian-2-yl)propan-1-ol?
The InChIKey is HAAITIBBBQSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS2/c8-4-1-3-7-9-5-2-6-10-7/h7-8H,1-6H2.
What are the key properties of 3-(1,3-dithian-2-yl)propan-1-ol?
3-(1,3-dithian-2-yl)propan-1-ol has a molecular weight of 178.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dithian-2-yl)propan-1-ol is sourced from PubChem (CID 10866916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).