methyl N'-propan-2-ylcarbamimidothioate

C5H12N2S — CID 21330756

IUPACmethyl N'-propan-2-ylcarbamimidothioate
SMILESCS/C(N)=N\C(C)C
InChIInChI=1S/C5H12N2S/c1-4(2)7-5(6)8-3/h4H,1-3H3,(H2,6,7)
InChIKeyYQSVTOWNQBRXDG-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.07
Rot. Bonds1

About methyl N'-propan-2-ylcarbamimidothioate

methyl N'-propan-2-ylcarbamimidothioate (PubChem CID 21330756) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is methyl N'-propan-2-ylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-propan-2-ylcarbamimidothioate
PubChem CID21330756
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Namemethyl N'-propan-2-ylcarbamimidothioate
SMILESCS/C(N)=N\C(C)C
InChIInChI=1S/C5H12N2S/c1-4(2)7-5(6)8-3/h4H,1-3H3,(H2,6,7)
InChIKeyYQSVTOWNQBRXDG-UHFFFAOYSA-N
XLogP1.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.07
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'-propan-2-ylcarbamimidothioate?
The IUPAC name of methyl N'-propan-2-ylcarbamimidothioate (CID 21330756) is methyl N'-propan-2-ylcarbamimidothioate.
What is the SMILES notation for methyl N'-propan-2-ylcarbamimidothioate?
The canonical SMILES for methyl N'-propan-2-ylcarbamimidothioate is CS/C(N)=N\C(C)C.
What is the InChIKey of methyl N'-propan-2-ylcarbamimidothioate?
The InChIKey is YQSVTOWNQBRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4(2)7-5(6)8-3/h4H,1-3H3,(H2,6,7).
What are the key properties of methyl N'-propan-2-ylcarbamimidothioate?
methyl N'-propan-2-ylcarbamimidothioate has a molecular weight of 132.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-propan-2-ylcarbamimidothioate is sourced from PubChem (CID 21330756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).