1,3-dithian-5-ylmethanol

C5H10OS2 — CID 11593461

IUPAC1,3-dithian-5-ylmethanol
SMILESOCC1CSCSC1
InChIInChI=1S/C5H10OS2/c6-1-5-2-7-4-8-3-5/h5-6H,1-4H2
InChIKeySYCQUNJUFCLEDD-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.03
Rot. Bonds1

About 1,3-dithian-5-ylmethanol

1,3-dithian-5-ylmethanol (PubChem CID 11593461) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1,3-dithian-5-ylmethanol.

Molecular Properties

Compound Name1,3-dithian-5-ylmethanol
PubChem CID11593461
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name1,3-dithian-5-ylmethanol
SMILESOCC1CSCSC1
InChIInChI=1S/C5H10OS2/c6-1-5-2-7-4-8-3-5/h5-6H,1-4H2
InChIKeySYCQUNJUFCLEDD-UHFFFAOYSA-N
XLogP1.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dithian-5-ylmethanol?
The IUPAC name of 1,3-dithian-5-ylmethanol (CID 11593461) is 1,3-dithian-5-ylmethanol.
What is the SMILES notation for 1,3-dithian-5-ylmethanol?
The canonical SMILES for 1,3-dithian-5-ylmethanol is OCC1CSCSC1.
What is the InChIKey of 1,3-dithian-5-ylmethanol?
The InChIKey is SYCQUNJUFCLEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c6-1-5-2-7-4-8-3-5/h5-6H,1-4H2.
What are the key properties of 1,3-dithian-5-ylmethanol?
1,3-dithian-5-ylmethanol has a molecular weight of 150.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithian-5-ylmethanol is sourced from PubChem (CID 11593461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).