N-(2-methylprop-1-enyl)ethanethioamide

C6H11NS — CID 55286071

IUPACN-(2-methylprop-1-enyl)ethanethioamide
SMILESCC(=S)NC=C(C)C
InChIInChI=1S/C6H11NS/c1-5(2)4-7-6(3)8/h4H,1-3H3,(H,7,8)
InChIKeyCZCGYFSAPODYTJ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.85
Rot. Bonds1

About N-(2-methylprop-1-enyl)ethanethioamide

N-(2-methylprop-1-enyl)ethanethioamide (PubChem CID 55286071) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)ethanethioamide
PubChem CID55286071
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-(2-methylprop-1-enyl)ethanethioamide
SMILESCC(=S)NC=C(C)C
InChIInChI=1S/C6H11NS/c1-5(2)4-7-6(3)8/h4H,1-3H3,(H,7,8)
InChIKeyCZCGYFSAPODYTJ-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.85
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 N-(2-methylprop-1-enyl)ethanethioamide?
The IUPAC name of N-(2-methylprop-1-enyl)ethanethioamide (CID 55286071) is N-(2-methylprop-1-enyl)ethanethioamide.
What is the SMILES notation for N-(2-methylprop-1-enyl)ethanethioamide?
The canonical SMILES for N-(2-methylprop-1-enyl)ethanethioamide is CC(=S)NC=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)ethanethioamide?
The InChIKey is CZCGYFSAPODYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)4-7-6(3)8/h4H,1-3H3,(H,7,8).
What are the key properties of N-(2-methylprop-1-enyl)ethanethioamide?
N-(2-methylprop-1-enyl)ethanethioamide has a molecular weight of 129.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)ethanethioamide is sourced from PubChem (CID 55286071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).