methyl N'-ethylphosphanylcarbamimidothioate

C4H11N2PS — CID 123428742

IUPACmethyl N'-ethylphosphanylcarbamimidothioate
SMILESCCPN=C(N)SC
InChIInChI=1S/C4H11N2PS/c1-3-7-6-4(5)8-2/h7H,3H2,1-2H3,(H2,5,6)
InChIKeyISRQXYHRQMAXNL-UHFFFAOYSA-N
MW150.19 g/mol
LogP1.28
Rot. Bonds2

About methyl N'-ethylphosphanylcarbamimidothioate

methyl N'-ethylphosphanylcarbamimidothioate (PubChem CID 123428742) has the molecular formula C4H11N2PS and a molecular weight of 150.19 g/mol. Its IUPAC name is methyl N'-ethylphosphanylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-ethylphosphanylcarbamimidothioate
PubChem CID123428742
Molecular FormulaC4H11N2PS
Molecular Weight150.19 g/mol
Exact Mass150.04
IUPAC Namemethyl N'-ethylphosphanylcarbamimidothioate
SMILESCCPN=C(N)SC
InChIInChI=1S/C4H11N2PS/c1-3-7-6-4(5)8-2/h7H,3H2,1-2H3,(H2,5,6)
InChIKeyISRQXYHRQMAXNL-UHFFFAOYSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 51.28
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
methyl N'-[(Z)-but-1-enyl]carbamimidothioate
CID 144920980
methyl N'-hexylcarbamimidothioate
CID 157360407
methyl N'-(dihydroxyamino)carbamimidothioate
CID 4542680
hydron;methyl N'-aminocarbamimidothioate;iodide
CID 90229300
methyl N'-carbamothioylcarbamimidothioate
CID 11744796
methyl N'-(2-aminoethanethioyl)carbamimidothioate
CID 166686871
methyl N'-prop-2-ynylcarbamimidothioate
CID 86157299
methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate
CID 6509661
methyl N'-(2,2-diethoxyethyl)carbamimidothioate
CID 15816903
methyl N'-methylsulfonylcarbamimidothioate
CID 10654681
methyl N'-sulfamoylcarbamimidothioate
CID 86147614

Frequently Asked Questions

What is the IUPAC name of methyl N'-ethylphosphanylcarbamimidothioate?
The IUPAC name of methyl N'-ethylphosphanylcarbamimidothioate (CID 123428742) is methyl N'-ethylphosphanylcarbamimidothioate.
What is the SMILES notation for methyl N'-ethylphosphanylcarbamimidothioate?
The canonical SMILES for methyl N'-ethylphosphanylcarbamimidothioate is CCPN=C(N)SC.
What is the InChIKey of methyl N'-ethylphosphanylcarbamimidothioate?
The InChIKey is ISRQXYHRQMAXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2PS/c1-3-7-6-4(5)8-2/h7H,3H2,1-2H3,(H2,5,6).
What are the key properties of methyl N'-ethylphosphanylcarbamimidothioate?
methyl N'-ethylphosphanylcarbamimidothioate has a molecular weight of 150.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-ethylphosphanylcarbamimidothioate is sourced from PubChem (CID 123428742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).