ethyl N'-methylcarbamimidothioate

C4H10N2S — CID 11019863

IUPACethyl N'-methylcarbamimidothioate
SMILESCCS/C(N)=N\C
InChIInChI=1S/C4H10N2S/c1-3-7-4(5)6-2/h3H2,1-2H3,(H2,5,6)
InChIKeyWLZHMAWFACZFSM-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.68
Rot. Bonds1

About ethyl N'-methylcarbamimidothioate

ethyl N'-methylcarbamimidothioate (PubChem CID 11019863) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is ethyl N'-methylcarbamimidothioate.

Molecular Properties

Compound Nameethyl N'-methylcarbamimidothioate
PubChem CID11019863
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Nameethyl N'-methylcarbamimidothioate
SMILESCCS/C(N)=N\C
InChIInChI=1S/C4H10N2S/c1-3-7-4(5)6-2/h3H2,1-2H3,(H2,5,6)
InChIKeyWLZHMAWFACZFSM-UHFFFAOYSA-N
XLogP0.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.68
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 ethyl N'-methylcarbamimidothioate?
The IUPAC name of ethyl N'-methylcarbamimidothioate (CID 11019863) is ethyl N'-methylcarbamimidothioate.
What is the SMILES notation for ethyl N'-methylcarbamimidothioate?
The canonical SMILES for ethyl N'-methylcarbamimidothioate is CCS/C(N)=N\C.
What is the InChIKey of ethyl N'-methylcarbamimidothioate?
The InChIKey is WLZHMAWFACZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-3-7-4(5)6-2/h3H2,1-2H3,(H2,5,6).
What are the key properties of ethyl N'-methylcarbamimidothioate?
ethyl N'-methylcarbamimidothioate has a molecular weight of 118.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-methylcarbamimidothioate is sourced from PubChem (CID 11019863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).