[amino(2-ethoxyethylsulfanyl)methylidene]azanium

C5H13N2OS+ — CID 4230824

IUPAC[amino(2-ethoxyethylsulfanyl)methylidene]azanium
SMILESCCOCCSC(N)=[NH2+]
InChIInChI=1S/C5H12N2OS/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H3,6,7)/p+1
InChIKeyBVMDUHIOGWXDKS-UHFFFAOYSA-O
MW149.24 g/mol
LogP-1.17
Rot. Bonds4

About [amino(2-ethoxyethylsulfanyl)methylidene]azanium

[amino(2-ethoxyethylsulfanyl)methylidene]azanium (PubChem CID 4230824) has the molecular formula C5H13N2OS+ and a molecular weight of 149.24 g/mol. Its IUPAC name is [amino(2-ethoxyethylsulfanyl)methylidene]azanium.

Molecular Properties

Compound Name[amino(2-ethoxyethylsulfanyl)methylidene]azanium
PubChem CID4230824
Molecular FormulaC5H13N2OS+
Molecular Weight149.24 g/mol
Exact Mass149.07
IUPAC Name[amino(2-ethoxyethylsulfanyl)methylidene]azanium
SMILESCCOCCSC(N)=[NH2+]
InChIInChI=1S/C5H12N2OS/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H3,6,7)/p+1
InChIKeyBVMDUHIOGWXDKS-UHFFFAOYSA-O
XLogP-1.17
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(2-ethoxyethylsulfanyl)methylidene]azanium?
The IUPAC name of [amino(2-ethoxyethylsulfanyl)methylidene]azanium (CID 4230824) is [amino(2-ethoxyethylsulfanyl)methylidene]azanium.
What is the SMILES notation for [amino(2-ethoxyethylsulfanyl)methylidene]azanium?
The canonical SMILES for [amino(2-ethoxyethylsulfanyl)methylidene]azanium is CCOCCSC(N)=[NH2+].
What is the InChIKey of [amino(2-ethoxyethylsulfanyl)methylidene]azanium?
The InChIKey is BVMDUHIOGWXDKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2OS/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H3,6,7)/p+1.
What are the key properties of [amino(2-ethoxyethylsulfanyl)methylidene]azanium?
[amino(2-ethoxyethylsulfanyl)methylidene]azanium has a molecular weight of 149.24 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(2-ethoxyethylsulfanyl)methylidene]azanium is sourced from PubChem (CID 4230824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).