(Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium

C5H12N3S+ — CID 89217257

IUPAC(Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium
SMILESC=C(C)S/C(N)=[N+](/C)N
InChIInChI=1S/C5H11N3S/c1-4(2)9-5(6)8(3)7/h6H,1,7H2,2-3H3/p+1
InChIKeyXUTIUWFPWPCJQZ-UHFFFAOYSA-O
MW146.24 g/mol
LogP0.08
Rot. Bonds1

About (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium

(Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium (PubChem CID 89217257) has the molecular formula C5H12N3S+ and a molecular weight of 146.24 g/mol. Its IUPAC name is (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium.

Molecular Properties

Compound Name(Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium
PubChem CID89217257
Molecular FormulaC5H12N3S+
Molecular Weight146.24 g/mol
Exact Mass146.07
IUPAC Name(Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium
SMILESC=C(C)S/C(N)=[N+](/C)N
InChIInChI=1S/C5H11N3S/c1-4(2)9-5(6)8(3)7/h6H,1,7H2,2-3H3/p+1
InChIKeyXUTIUWFPWPCJQZ-UHFFFAOYSA-O
XLogP0.08
TPSA55.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium?
The IUPAC name of (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium (CID 89217257) is (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium.
What is the SMILES notation for (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium?
The canonical SMILES for (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium is C=C(C)S/C(N)=[N+](/C)N.
What is the InChIKey of (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium?
The InChIKey is XUTIUWFPWPCJQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N3S/c1-4(2)9-5(6)8(3)7/h6H,1,7H2,2-3H3/p+1.
What are the key properties of (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium?
(Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium has a molecular weight of 146.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium is sourced from PubChem (CID 89217257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).