1,3-dithiole;ethanethiol

C5H10S3 — CID 175089373

IUPAC1,3-dithiole;ethanethiol
SMILESC1=CSCS1.CCS
InChIInChI=1S/C3H4S2.C2H6S/c1-2-5-3-4-1;1-2-3/h1-2H,3H2;3H,2H2,1H3
InChIKeyZBKUVHJSYAWINS-UHFFFAOYSA-N
MW166.34 g/mol
LogP2.83
Rot. Bonds

About 1,3-dithiole;ethanethiol

1,3-dithiole;ethanethiol (PubChem CID 175089373) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is 1,3-dithiole;ethanethiol.

Molecular Properties

Compound Name1,3-dithiole;ethanethiol
PubChem CID175089373
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name1,3-dithiole;ethanethiol
SMILESC1=CSCS1.CCS
InChIInChI=1S/C3H4S2.C2H6S/c1-2-5-3-4-1;1-2-3/h1-2H,3H2;3H,2H2,1H3
InChIKeyZBKUVHJSYAWINS-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 52.83
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 1,3-dithiole;ethanethiol?
The IUPAC name of 1,3-dithiole;ethanethiol (CID 175089373) is 1,3-dithiole;ethanethiol.
What is the SMILES notation for 1,3-dithiole;ethanethiol?
The canonical SMILES for 1,3-dithiole;ethanethiol is C1=CSCS1.CCS.
What is the InChIKey of 1,3-dithiole;ethanethiol?
The InChIKey is ZBKUVHJSYAWINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4S2.C2H6S/c1-2-5-3-4-1;1-2-3/h1-2H,3H2;3H,2H2,1H3.
What are the key properties of 1,3-dithiole;ethanethiol?
1,3-dithiole;ethanethiol has a molecular weight of 166.34 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiole;ethanethiol is sourced from PubChem (CID 175089373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).