1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene

C4H8N4O2S — CID 72512234

IUPAC1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene
SMILESC=C(N)NN=CC=NS(=O)O
InChIInChI=1S/C4H8N4O2S/c1-4(5)8-6-2-3-7-11(9)10/h2-3,8H,1,5H2,(H,9,10)
InChIKeyFOVULPBYMZHWCW-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.80
Rot. Bonds4

About 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene

1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene (PubChem CID 72512234) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene.

Molecular Properties

Compound Name1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene
PubChem CID72512234
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC Name1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene
SMILESC=C(N)NN=CC=NS(=O)O
InChIInChI=1S/C4H8N4O2S/c1-4(5)8-6-2-3-7-11(9)10/h2-3,8H,1,5H2,(H,9,10)
InChIKeyFOVULPBYMZHWCW-UHFFFAOYSA-N
XLogP-0.80
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene?
The IUPAC name of 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene (CID 72512234) is 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene.
What is the SMILES notation for 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene?
The canonical SMILES for 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene is C=C(N)NN=CC=NS(=O)O.
What is the InChIKey of 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene?
The InChIKey is FOVULPBYMZHWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c1-4(5)8-6-2-3-7-11(9)10/h2-3,8H,1,5H2,(H,9,10).
What are the key properties of 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene?
1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene has a molecular weight of 176.20 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-(2-sulfinoiminoethylidene)hydrazinyl]ethene is sourced from PubChem (CID 72512234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).