3-(1,3-dithiolan-2-ylidene)propan-1-ol

C6H10OS2 — CID 102474169

IUPAC3-(1,3-dithiolan-2-ylidene)propan-1-ol
SMILESOCCC=C1SCCS1
InChIInChI=1S/C6H10OS2/c7-3-1-2-6-8-4-5-9-6/h2,7H,1,3-5H2
InChIKeyUIKKEHRMTRXGRY-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.69
Rot. Bonds2

About 3-(1,3-dithiolan-2-ylidene)propan-1-ol

3-(1,3-dithiolan-2-ylidene)propan-1-ol (PubChem CID 102474169) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3-(1,3-dithiolan-2-ylidene)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dithiolan-2-ylidene)propan-1-ol
PubChem CID102474169
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name3-(1,3-dithiolan-2-ylidene)propan-1-ol
SMILESOCCC=C1SCCS1
InChIInChI=1S/C6H10OS2/c7-3-1-2-6-8-4-5-9-6/h2,7H,1,3-5H2
InChIKeyUIKKEHRMTRXGRY-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dithiolan-2-ylidene)propan-1-ol?
The IUPAC name of 3-(1,3-dithiolan-2-ylidene)propan-1-ol (CID 102474169) is 3-(1,3-dithiolan-2-ylidene)propan-1-ol.
What is the SMILES notation for 3-(1,3-dithiolan-2-ylidene)propan-1-ol?
The canonical SMILES for 3-(1,3-dithiolan-2-ylidene)propan-1-ol is OCCC=C1SCCS1.
What is the InChIKey of 3-(1,3-dithiolan-2-ylidene)propan-1-ol?
The InChIKey is UIKKEHRMTRXGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c7-3-1-2-6-8-4-5-9-6/h2,7H,1,3-5H2.
What are the key properties of 3-(1,3-dithiolan-2-ylidene)propan-1-ol?
3-(1,3-dithiolan-2-ylidene)propan-1-ol has a molecular weight of 162.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dithiolan-2-ylidene)propan-1-ol is sourced from PubChem (CID 102474169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).