2-sulfanylpropanethial

C3H6S2 — CID 18419942

IUPAC2-sulfanylpropanethial
SMILESCC(S)C=S
InChIInChI=1S/C3H6S2/c1-3(5)2-4/h2-3,5H,1H3
InChIKeyCWIAWYVNKHZYGQ-UHFFFAOYSA-N
MW106.21 g/mol
LogP1.30
Rot. Bonds1

About 2-sulfanylpropanethial

2-sulfanylpropanethial (PubChem CID 18419942) has the molecular formula C3H6S2 and a molecular weight of 106.21 g/mol. Its IUPAC name is 2-sulfanylpropanethial.

Molecular Properties

Compound Name2-sulfanylpropanethial
PubChem CID18419942
Molecular FormulaC3H6S2
Molecular Weight106.21 g/mol
Exact Mass105.99
IUPAC Name2-sulfanylpropanethial
SMILESCC(S)C=S
InChIInChI=1S/C3H6S2/c1-3(5)2-4/h2-3,5H,1H3
InChIKeyCWIAWYVNKHZYGQ-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylpropanethial?
The IUPAC name of 2-sulfanylpropanethial (CID 18419942) is 2-sulfanylpropanethial.
What is the SMILES notation for 2-sulfanylpropanethial?
The canonical SMILES for 2-sulfanylpropanethial is CC(S)C=S.
What is the InChIKey of 2-sulfanylpropanethial?
The InChIKey is CWIAWYVNKHZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S2/c1-3(5)2-4/h2-3,5H,1H3.
What are the key properties of 2-sulfanylpropanethial?
2-sulfanylpropanethial has a molecular weight of 106.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylpropanethial is sourced from PubChem (CID 18419942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).