methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate

C7H14N2S — CID 142019260

IUPACmethyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate
SMILESC=C(C)N/C(=N/CC)SC
InChIInChI=1S/C7H14N2S/c1-5-8-7(10-4)9-6(2)3/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyHSSWDIUKHXUYPY-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.85
Rot. Bonds2

About methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate

methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate (PubChem CID 142019260) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate
PubChem CID142019260
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Namemethyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate
SMILESC=C(C)N/C(=N/CC)SC
InChIInChI=1S/C7H14N2S/c1-5-8-7(10-4)9-6(2)3/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyHSSWDIUKHXUYPY-UHFFFAOYSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.85
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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Related Compounds

N'-methyl-N-prop-1-en-2-ylpropanimidamide
CID 142586456
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
2-(N,N'-diethylcarbamimidoyl)sulfanylethyl N,N'-diethylcarbamimidothioate;hydrobromide
CID 54604706
2-N-ethyl-4-methylpent-4-ene-2,3-diimine
CID 123769443
2-ethylimino-2-methylsulfanylacetic acid
CID 87606633
ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide
CID 143733110
ethanol;ethylthiourea;methyl N'-ethylcarbamimidothioate;hydroiodide
CID 159808778
N-(1-fluoroethenyl)prop-1-en-2-amine
CID 145377112
methyl N-cyano-N'-(2-ethylhexyl)carbamimidothioate
CID 107815208
methyl N-[(E)-but-2-en-2-yl]-N'-methylcarbamimidothioate
CID 144711519
2-butan-2-yl-1-prop-1-en-2-ylguanidine
CID 145461023
methyl N,N'-dipentylcarbamimidothioate
CID 88829700

Frequently Asked Questions

What is the IUPAC name of methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate?
The IUPAC name of methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate (CID 142019260) is methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate.
What is the SMILES notation for methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate?
The canonical SMILES for methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate is C=C(C)N/C(=N/CC)SC.
What is the InChIKey of methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate?
The InChIKey is HSSWDIUKHXUYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-5-8-7(10-4)9-6(2)3/h2,5H2,1,3-4H3,(H,8,9).
What are the key properties of methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate?
methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate has a molecular weight of 158.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate is sourced from PubChem (CID 142019260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).