methyl N'-cyclopropylcarbamimidothioate

C5H10N2S — CID 18622015

IUPACmethyl N'-cyclopropylcarbamimidothioate
SMILESCS/C(N)=N\C1CC1
InChIInChI=1S/C5H10N2S/c1-8-5(6)7-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyKUWQGPPACASNEO-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.83
Rot. Bonds1

About methyl N'-cyclopropylcarbamimidothioate

methyl N'-cyclopropylcarbamimidothioate (PubChem CID 18622015) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is methyl N'-cyclopropylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-cyclopropylcarbamimidothioate
PubChem CID18622015
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Namemethyl N'-cyclopropylcarbamimidothioate
SMILESCS/C(N)=N\C1CC1
InChIInChI=1S/C5H10N2S/c1-8-5(6)7-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyKUWQGPPACASNEO-UHFFFAOYSA-N
XLogP0.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.83
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'-cyclopropylcarbamimidothioate?
The IUPAC name of methyl N'-cyclopropylcarbamimidothioate (CID 18622015) is methyl N'-cyclopropylcarbamimidothioate.
What is the SMILES notation for methyl N'-cyclopropylcarbamimidothioate?
The canonical SMILES for methyl N'-cyclopropylcarbamimidothioate is CS/C(N)=N\C1CC1.
What is the InChIKey of methyl N'-cyclopropylcarbamimidothioate?
The InChIKey is KUWQGPPACASNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-8-5(6)7-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7).
What are the key properties of methyl N'-cyclopropylcarbamimidothioate?
methyl N'-cyclopropylcarbamimidothioate has a molecular weight of 130.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-cyclopropylcarbamimidothioate is sourced from PubChem (CID 18622015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).