2-cyclopropylpropanethial

C6H10S — CID 54462811

IUPAC2-cyclopropylpropanethial
SMILESCC(C=S)C1CC1
InChIInChI=1S/C6H10S/c1-5(4-7)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyXCTVOBBUYOKUDS-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.03
Rot. Bonds2

About 2-cyclopropylpropanethial

2-cyclopropylpropanethial (PubChem CID 54462811) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-cyclopropylpropanethial.

Molecular Properties

Compound Name2-cyclopropylpropanethial
PubChem CID54462811
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-cyclopropylpropanethial
SMILESCC(C=S)C1CC1
InChIInChI=1S/C6H10S/c1-5(4-7)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyXCTVOBBUYOKUDS-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopropylpropanethial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpropanethial?
The IUPAC name of 2-cyclopropylpropanethial (CID 54462811) is 2-cyclopropylpropanethial.
What is the SMILES notation for 2-cyclopropylpropanethial?
The canonical SMILES for 2-cyclopropylpropanethial is CC(C=S)C1CC1.
What is the InChIKey of 2-cyclopropylpropanethial?
The InChIKey is XCTVOBBUYOKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-5(4-7)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 2-cyclopropylpropanethial?
2-cyclopropylpropanethial has a molecular weight of 114.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpropanethial is sourced from PubChem (CID 54462811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).