2-sulfanylidenepropanethial

C3H4S2 — CID 22418673

IUPAC2-sulfanylidenepropanethial
SMILESCC(=S)C=S
InChIInChI=1S/C3H4S2/c1-3(5)2-4/h2H,1H3
InChIKeyNAUWKPXLBCMVOZ-UHFFFAOYSA-N
MW104.20 g/mol
LogP1.38
Rot. Bonds1

About 2-sulfanylidenepropanethial

2-sulfanylidenepropanethial (PubChem CID 22418673) has the molecular formula C3H4S2 and a molecular weight of 104.20 g/mol. Its IUPAC name is 2-sulfanylidenepropanethial.

Molecular Properties

Compound Name2-sulfanylidenepropanethial
PubChem CID22418673
Molecular FormulaC3H4S2
Molecular Weight104.20 g/mol
Exact Mass103.98
IUPAC Name2-sulfanylidenepropanethial
SMILESCC(=S)C=S
InChIInChI=1S/C3H4S2/c1-3(5)2-4/h2H,1H3
InChIKeyNAUWKPXLBCMVOZ-UHFFFAOYSA-N
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidenepropanethial?
The IUPAC name of 2-sulfanylidenepropanethial (CID 22418673) is 2-sulfanylidenepropanethial.
What is the SMILES notation for 2-sulfanylidenepropanethial?
The canonical SMILES for 2-sulfanylidenepropanethial is CC(=S)C=S.
What is the InChIKey of 2-sulfanylidenepropanethial?
The InChIKey is NAUWKPXLBCMVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4S2/c1-3(5)2-4/h2H,1H3.
What are the key properties of 2-sulfanylidenepropanethial?
2-sulfanylidenepropanethial has a molecular weight of 104.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidenepropanethial is sourced from PubChem (CID 22418673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).