methyl N-methylpropanimidothioate

C5H11NS — CID 14192813

IUPACmethyl N-methylpropanimidothioate
SMILESCC/C(=N\C)SC
InChIInChI=1S/C5H11NS/c1-4-5(6-2)7-3/h4H2,1-3H3/b6-5+
InChIKeyABIVSBBDLQQKGU-AATRIKPKSA-N
MW117.22 g/mol
LogP1.79
Rot. Bonds1

About methyl N-methylpropanimidothioate

methyl N-methylpropanimidothioate (PubChem CID 14192813) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is methyl N-methylpropanimidothioate.

Molecular Properties

Compound Namemethyl N-methylpropanimidothioate
PubChem CID14192813
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namemethyl N-methylpropanimidothioate
SMILESCC/C(=N\C)SC
InChIInChI=1S/C5H11NS/c1-4-5(6-2)7-3/h4H2,1-3H3/b6-5+
InChIKeyABIVSBBDLQQKGU-AATRIKPKSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-methylpropanimidothioate?
The IUPAC name of methyl N-methylpropanimidothioate (CID 14192813) is methyl N-methylpropanimidothioate.
What is the SMILES notation for methyl N-methylpropanimidothioate?
The canonical SMILES for methyl N-methylpropanimidothioate is CC/C(=N\C)SC.
What is the InChIKey of methyl N-methylpropanimidothioate?
The InChIKey is ABIVSBBDLQQKGU-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NS/c1-4-5(6-2)7-3/h4H2,1-3H3/b6-5+.
What are the key properties of methyl N-methylpropanimidothioate?
methyl N-methylpropanimidothioate has a molecular weight of 117.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylpropanimidothioate is sourced from PubChem (CID 14192813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).