(sulfinoamino)ethene

C2H5NO2S — CID 19593362

IUPAC(sulfinoamino)ethene
SMILESC=CNS(=O)O
InChIInChI=1S/C2H5NO2S/c1-2-3-6(4)5/h2-3H,1H2,(H,4,5)
InChIKeyKECBRCUBTRUDIA-UHFFFAOYSA-N
MW107.13 g/mol
LogP-0.14
Rot. Bonds2

About (sulfinoamino)ethene

(sulfinoamino)ethene (PubChem CID 19593362) has the molecular formula C2H5NO2S and a molecular weight of 107.13 g/mol. Its IUPAC name is (sulfinoamino)ethene.

Molecular Properties

Compound Name(sulfinoamino)ethene
PubChem CID19593362
Molecular FormulaC2H5NO2S
Molecular Weight107.13 g/mol
Exact Mass107.00
IUPAC Name(sulfinoamino)ethene
SMILESC=CNS(=O)O
InChIInChI=1S/C2H5NO2S/c1-2-3-6(4)5/h2-3H,1H2,(H,4,5)
InChIKeyKECBRCUBTRUDIA-UHFFFAOYSA-N
XLogP-0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (sulfinoamino)ethene?
The IUPAC name of (sulfinoamino)ethene (CID 19593362) is (sulfinoamino)ethene.
What is the SMILES notation for (sulfinoamino)ethene?
The canonical SMILES for (sulfinoamino)ethene is C=CNS(=O)O.
What is the InChIKey of (sulfinoamino)ethene?
The InChIKey is KECBRCUBTRUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S/c1-2-3-6(4)5/h2-3H,1H2,(H,4,5).
What are the key properties of (sulfinoamino)ethene?
(sulfinoamino)ethene has a molecular weight of 107.13 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinoamino)ethene is sourced from PubChem (CID 19593362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).