2-cyclopropylethanethioamide

C5H9NS — CID 22140960

IUPAC2-cyclopropylethanethioamide
SMILESNC(=S)CC1CC1
InChIInChI=1S/C5H9NS/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H2,6,7)
InChIKeyHRTVZACNFUMRCK-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.07
Rot. Bonds2

About 2-cyclopropylethanethioamide

2-cyclopropylethanethioamide (PubChem CID 22140960) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-cyclopropylethanethioamide.

Molecular Properties

Compound Name2-cyclopropylethanethioamide
PubChem CID22140960
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2-cyclopropylethanethioamide
SMILESNC(=S)CC1CC1
InChIInChI=1S/C5H9NS/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H2,6,7)
InChIKeyHRTVZACNFUMRCK-UHFFFAOYSA-N
XLogP1.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethanethioamide?
The IUPAC name of 2-cyclopropylethanethioamide (CID 22140960) is 2-cyclopropylethanethioamide.
What is the SMILES notation for 2-cyclopropylethanethioamide?
The canonical SMILES for 2-cyclopropylethanethioamide is NC(=S)CC1CC1.
What is the InChIKey of 2-cyclopropylethanethioamide?
The InChIKey is HRTVZACNFUMRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H2,6,7).
What are the key properties of 2-cyclopropylethanethioamide?
2-cyclopropylethanethioamide has a molecular weight of 115.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethanethioamide is sourced from PubChem (CID 22140960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).