2-methylpropanethioamide;hydrochloride

C4H10ClNS — CID 87468880

IUPAC2-methylpropanethioamide;hydrochloride
SMILESCC(C)C(N)=S.Cl
InChIInChI=1S/C4H9NS.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H2,5,6);1H
InChIKeyZUURTFDLYSRYHS-UHFFFAOYSA-N
MW139.65 g/mol
LogP1.35
Rot. Bonds1

About 2-methylpropanethioamide;hydrochloride

2-methylpropanethioamide;hydrochloride (PubChem CID 87468880) has the molecular formula C4H10ClNS and a molecular weight of 139.65 g/mol. Its IUPAC name is 2-methylpropanethioamide;hydrochloride.

Molecular Properties

Compound Name2-methylpropanethioamide;hydrochloride
PubChem CID87468880
Molecular FormulaC4H10ClNS
Molecular Weight139.65 g/mol
Exact Mass139.02
IUPAC Name2-methylpropanethioamide;hydrochloride
SMILESCC(C)C(N)=S.Cl
InChIInChI=1S/C4H9NS.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H2,5,6);1H
InChIKeyZUURTFDLYSRYHS-UHFFFAOYSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.65
LogP ≤ 51.35
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-methylpropanethioamide;hydrochloride?
The IUPAC name of 2-methylpropanethioamide;hydrochloride (CID 87468880) is 2-methylpropanethioamide;hydrochloride.
What is the SMILES notation for 2-methylpropanethioamide;hydrochloride?
The canonical SMILES for 2-methylpropanethioamide;hydrochloride is CC(C)C(N)=S.Cl.
What is the InChIKey of 2-methylpropanethioamide;hydrochloride?
The InChIKey is ZUURTFDLYSRYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H2,5,6);1H.
What are the key properties of 2-methylpropanethioamide;hydrochloride?
2-methylpropanethioamide;hydrochloride has a molecular weight of 139.65 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanethioamide;hydrochloride is sourced from PubChem (CID 87468880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).