N'-(1-sulfanylethenyl)ethanimidamide

C4H8N2S — CID 154550789

IUPACN'-(1-sulfanylethenyl)ethanimidamide
SMILESC=C(S)N=C(C)N
InChIInChI=1S/C4H8N2S/c1-3(5)6-4(2)7/h7H,2H2,1H3,(H2,5,6)
InChIKeyJKWYOMBQAIWETE-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.76
Rot. Bonds1

About N'-(1-sulfanylethenyl)ethanimidamide

N'-(1-sulfanylethenyl)ethanimidamide (PubChem CID 154550789) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is N'-(1-sulfanylethenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(1-sulfanylethenyl)ethanimidamide
PubChem CID154550789
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC NameN'-(1-sulfanylethenyl)ethanimidamide
SMILESC=C(S)N=C(C)N
InChIInChI=1S/C4H8N2S/c1-3(5)6-4(2)7/h7H,2H2,1H3,(H2,5,6)
InChIKeyJKWYOMBQAIWETE-UHFFFAOYSA-N
XLogP0.76
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(propan-2-ylideneamino)ethenethiol
CID 121429128
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
bis(carbamodithioic acid);2-methylprop-1-ene
CID 88714741
1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)
CID 175858505
N'-(prop-1-en-2-ylamino)ethanimidamide
CID 89191835
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
prop-1-en-2-amine;yttrium
CID 158882655
(2Z)-3,4-diaminopenta-2,4-diene-2-thiol
CID 147166745
N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide
CID 176924842
ethane;N'-hept-1-en-2-ylethanimidamide
CID 145472363
3-aminobuta-1,3-diene-2-thiol
CID 129207423
(E)-1,2-diaminoprop-1-ene-1-thiol
CID 143171578

Frequently Asked Questions

What is the IUPAC name of N'-(1-sulfanylethenyl)ethanimidamide?
The IUPAC name of N'-(1-sulfanylethenyl)ethanimidamide (CID 154550789) is N'-(1-sulfanylethenyl)ethanimidamide.
What is the SMILES notation for N'-(1-sulfanylethenyl)ethanimidamide?
The canonical SMILES for N'-(1-sulfanylethenyl)ethanimidamide is C=C(S)N=C(C)N.
What is the InChIKey of N'-(1-sulfanylethenyl)ethanimidamide?
The InChIKey is JKWYOMBQAIWETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S/c1-3(5)6-4(2)7/h7H,2H2,1H3,(H2,5,6).
What are the key properties of N'-(1-sulfanylethenyl)ethanimidamide?
N'-(1-sulfanylethenyl)ethanimidamide has a molecular weight of 116.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-sulfanylethenyl)ethanimidamide is sourced from PubChem (CID 154550789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).