[amino(ethylsulfanyl)methylidene]azanium

C3H9N2S+ — CID 5048191

IUPAC[amino(ethylsulfanyl)methylidene]azanium
SMILESCCSC(N)=[NH2+]
InChIInChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/p+1
InChIKeyVFIZBHJTOHUOEK-UHFFFAOYSA-O
MW105.19 g/mol
LogP-1.19
Rot. Bonds1

About [amino(ethylsulfanyl)methylidene]azanium

[amino(ethylsulfanyl)methylidene]azanium (PubChem CID 5048191) has the molecular formula C3H9N2S+ and a molecular weight of 105.19 g/mol. Its IUPAC name is [amino(ethylsulfanyl)methylidene]azanium.

Molecular Properties

Compound Name[amino(ethylsulfanyl)methylidene]azanium
PubChem CID5048191
Molecular FormulaC3H9N2S+
Molecular Weight105.19 g/mol
Exact Mass105.05
IUPAC Name[amino(ethylsulfanyl)methylidene]azanium
SMILESCCSC(N)=[NH2+]
InChIInChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/p+1
InChIKeyVFIZBHJTOHUOEK-UHFFFAOYSA-O
XLogP-1.19
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.19
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 [amino(ethylsulfanyl)methylidene]azanium?
The IUPAC name of [amino(ethylsulfanyl)methylidene]azanium (CID 5048191) is [amino(ethylsulfanyl)methylidene]azanium.
What is the SMILES notation for [amino(ethylsulfanyl)methylidene]azanium?
The canonical SMILES for [amino(ethylsulfanyl)methylidene]azanium is CCSC(N)=[NH2+].
What is the InChIKey of [amino(ethylsulfanyl)methylidene]azanium?
The InChIKey is VFIZBHJTOHUOEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/p+1.
What are the key properties of [amino(ethylsulfanyl)methylidene]azanium?
[amino(ethylsulfanyl)methylidene]azanium has a molecular weight of 105.19 g/mol, XLogP of -1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethylsulfanyl)methylidene]azanium is sourced from PubChem (CID 5048191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).