prop-2-ynyl N'-ethylcarbamimidothioate

C6H10N2S — CID 126993394

IUPACprop-2-ynyl N'-ethylcarbamimidothioate
SMILESC#CCS/C(N)=N\CC
InChIInChI=1S/C6H10N2S/c1-3-5-9-6(7)8-4-2/h1H,4-5H2,2H3,(H2,7,8)
InChIKeyRCZFNCWPEBMYSI-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.69
Rot. Bonds2

About prop-2-ynyl N'-ethylcarbamimidothioate

prop-2-ynyl N'-ethylcarbamimidothioate (PubChem CID 126993394) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is prop-2-ynyl N'-ethylcarbamimidothioate.

Molecular Properties

Compound Nameprop-2-ynyl N'-ethylcarbamimidothioate
PubChem CID126993394
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Nameprop-2-ynyl N'-ethylcarbamimidothioate
SMILESC#CCS/C(N)=N\CC
InChIInChI=1S/C6H10N2S/c1-3-5-9-6(7)8-4-2/h1H,4-5H2,2H3,(H2,7,8)
InChIKeyRCZFNCWPEBMYSI-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.69
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
prop-2-ynyl N'-cyclohexylcarbamimidothioate
CID 130621821
methyl N'-prop-2-ynylcarbamimidothioate
CID 86157299
2-propyl-1-(2-prop-2-ynylsulfanylethyl)guanidine
CID 103734491
N'-prop-2-ynylpropanimidamide
CID 54116821
2-(4-methoxyphenoxy)ethyl N'-ethylcarbamimidothioate
CID 8774947
prop-2-ynyl N'-[(E)-furan-2-ylmethylideneamino]carbamimidothioate;hydrochloride
CID 175687637
prop-2-ynyl N-hydroxy-N-methylcarbamodithioate
CID 54381239
3-aminoprop-2-ynyl N'-methylcarbamimidothioate
CID 89009327
dodecylsulfanyl(prop-2-ynylsulfanyl)methanethione
CID 175444310
ethyl N'-hexylcarbamimidothioate
CID 154136436
cyanomethyl N'-butan-2-ylcarbamimidothioate
CID 131206746

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N'-ethylcarbamimidothioate?
The IUPAC name of prop-2-ynyl N'-ethylcarbamimidothioate (CID 126993394) is prop-2-ynyl N'-ethylcarbamimidothioate.
What is the SMILES notation for prop-2-ynyl N'-ethylcarbamimidothioate?
The canonical SMILES for prop-2-ynyl N'-ethylcarbamimidothioate is C#CCS/C(N)=N\CC.
What is the InChIKey of prop-2-ynyl N'-ethylcarbamimidothioate?
The InChIKey is RCZFNCWPEBMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-5-9-6(7)8-4-2/h1H,4-5H2,2H3,(H2,7,8).
What are the key properties of prop-2-ynyl N'-ethylcarbamimidothioate?
prop-2-ynyl N'-ethylcarbamimidothioate has a molecular weight of 142.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N'-ethylcarbamimidothioate is sourced from PubChem (CID 126993394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).