1-(1,3-dithiolan-2-yl)ethanethiol

C5H10S3 — CID 174424849

IUPAC1-(1,3-dithiolan-2-yl)ethanethiol
SMILESCC(S)C1SCCS1
InChIInChI=1S/C5H10S3/c1-4(6)5-7-2-3-8-5/h4-6H,2-3H2,1H3
InChIKeyYCRGUAZGANTQSR-UHFFFAOYSA-N
MW166.34 g/mol
LogP2.11
Rot. Bonds1

About 1-(1,3-dithiolan-2-yl)ethanethiol

1-(1,3-dithiolan-2-yl)ethanethiol (PubChem CID 174424849) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is 1-(1,3-dithiolan-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(1,3-dithiolan-2-yl)ethanethiol
PubChem CID174424849
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name1-(1,3-dithiolan-2-yl)ethanethiol
SMILESCC(S)C1SCCS1
InChIInChI=1S/C5H10S3/c1-4(6)5-7-2-3-8-5/h4-6H,2-3H2,1H3
InChIKeyYCRGUAZGANTQSR-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiolan-2-yl)ethanethiol?
The IUPAC name of 1-(1,3-dithiolan-2-yl)ethanethiol (CID 174424849) is 1-(1,3-dithiolan-2-yl)ethanethiol.
What is the SMILES notation for 1-(1,3-dithiolan-2-yl)ethanethiol?
The canonical SMILES for 1-(1,3-dithiolan-2-yl)ethanethiol is CC(S)C1SCCS1.
What is the InChIKey of 1-(1,3-dithiolan-2-yl)ethanethiol?
The InChIKey is YCRGUAZGANTQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c1-4(6)5-7-2-3-8-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-(1,3-dithiolan-2-yl)ethanethiol?
1-(1,3-dithiolan-2-yl)ethanethiol has a molecular weight of 166.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiolan-2-yl)ethanethiol is sourced from PubChem (CID 174424849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).