methyl N'-methyl-N-propan-2-ylcarbamimidothioate

C6H14N2S — CID 13077127

IUPACmethyl N'-methyl-N-propan-2-ylcarbamimidothioate
SMILESC/N=C(/NC(C)C)SC
InChIInChI=1S/C6H14N2S/c1-5(2)8-6(7-3)9-4/h5H,1-4H3,(H,7,8)
InChIKeySDIYHDJZHXBBFS-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.33
Rot. Bonds1

About methyl N'-methyl-N-propan-2-ylcarbamimidothioate

methyl N'-methyl-N-propan-2-ylcarbamimidothioate (PubChem CID 13077127) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is methyl N'-methyl-N-propan-2-ylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-methyl-N-propan-2-ylcarbamimidothioate
PubChem CID13077127
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Namemethyl N'-methyl-N-propan-2-ylcarbamimidothioate
SMILESC/N=C(/NC(C)C)SC
InChIInChI=1S/C6H14N2S/c1-5(2)8-6(7-3)9-4/h5H,1-4H3,(H,7,8)
InChIKeySDIYHDJZHXBBFS-UHFFFAOYSA-N
XLogP1.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
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'-methyl-N-propan-2-ylcarbamimidothioate?
The IUPAC name of methyl N'-methyl-N-propan-2-ylcarbamimidothioate (CID 13077127) is methyl N'-methyl-N-propan-2-ylcarbamimidothioate.
What is the SMILES notation for methyl N'-methyl-N-propan-2-ylcarbamimidothioate?
The canonical SMILES for methyl N'-methyl-N-propan-2-ylcarbamimidothioate is C/N=C(/NC(C)C)SC.
What is the InChIKey of methyl N'-methyl-N-propan-2-ylcarbamimidothioate?
The InChIKey is SDIYHDJZHXBBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5(2)8-6(7-3)9-4/h5H,1-4H3,(H,7,8).
What are the key properties of methyl N'-methyl-N-propan-2-ylcarbamimidothioate?
methyl N'-methyl-N-propan-2-ylcarbamimidothioate has a molecular weight of 146.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-methyl-N-propan-2-ylcarbamimidothioate is sourced from PubChem (CID 13077127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).