methyl N,N'-diethylcarbamimidothioate

C6H14N2S — CID 2775148

IUPACmethyl N,N'-diethylcarbamimidothioate
SMILESCC/N=C(/NCC)SC
InChIInChI=1S/C6H14N2S/c1-4-7-6(9-3)8-5-2/h4-5H2,1-3H3,(H,7,8)
InChIKeyRQXSCPGZWFMRIR-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.33
Rot. Bonds2

About methyl N,N'-diethylcarbamimidothioate

methyl N,N'-diethylcarbamimidothioate (PubChem CID 2775148) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is methyl N,N'-diethylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N,N'-diethylcarbamimidothioate
PubChem CID2775148
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Namemethyl N,N'-diethylcarbamimidothioate
SMILESCC/N=C(/NCC)SC
InChIInChI=1S/C6H14N2S/c1-4-7-6(9-3)8-5-2/h4-5H2,1-3H3,(H,7,8)
InChIKeyRQXSCPGZWFMRIR-UHFFFAOYSA-N
XLogP1.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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,N'-diethylcarbamimidothioate?
The IUPAC name of methyl N,N'-diethylcarbamimidothioate (CID 2775148) is methyl N,N'-diethylcarbamimidothioate.
What is the SMILES notation for methyl N,N'-diethylcarbamimidothioate?
The canonical SMILES for methyl N,N'-diethylcarbamimidothioate is CC/N=C(/NCC)SC.
What is the InChIKey of methyl N,N'-diethylcarbamimidothioate?
The InChIKey is RQXSCPGZWFMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-4-7-6(9-3)8-5-2/h4-5H2,1-3H3,(H,7,8).
What are the key properties of methyl N,N'-diethylcarbamimidothioate?
methyl N,N'-diethylcarbamimidothioate has a molecular weight of 146.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-diethylcarbamimidothioate is sourced from PubChem (CID 2775148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).