1λ4-thiacycloprop-3-yne

C2H2S — CID 67471979

IUPAC1λ4-thiacycloprop-3-yne
SMILESC1#SC1
InChIInChI=1S/C2H2S/c1-2-3-1/h1H2
InChIKeyWIUJQXZJLXJBEA-UHFFFAOYSA-N
MW58.11 g/mol
LogP0.69
Rot. Bonds

About 1λ4-thiacycloprop-3-yne

1λ4-thiacycloprop-3-yne (PubChem CID 67471979) has the molecular formula C2H2S and a molecular weight of 58.11 g/mol. Its IUPAC name is 1λ4-thiacycloprop-3-yne.

Molecular Properties

Compound Name1λ4-thiacycloprop-3-yne
PubChem CID67471979
Molecular FormulaC2H2S
Molecular Weight58.11 g/mol
Exact Mass57.99
IUPAC Name1λ4-thiacycloprop-3-yne
SMILESC1#SC1
InChIInChI=1S/C2H2S/c1-2-3-1/h1H2
InChIKeyWIUJQXZJLXJBEA-UHFFFAOYSA-N
XLogP0.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.11
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1λ4-thiacycloprop-3-yne?
The IUPAC name of 1λ4-thiacycloprop-3-yne (CID 67471979) is 1λ4-thiacycloprop-3-yne.
What is the SMILES notation for 1λ4-thiacycloprop-3-yne?
The canonical SMILES for 1λ4-thiacycloprop-3-yne is C1#SC1.
What is the InChIKey of 1λ4-thiacycloprop-3-yne?
The InChIKey is WIUJQXZJLXJBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2S/c1-2-3-1/h1H2.
What are the key properties of 1λ4-thiacycloprop-3-yne?
1λ4-thiacycloprop-3-yne has a molecular weight of 58.11 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ4-thiacycloprop-3-yne is sourced from PubChem (CID 67471979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).