S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine

C3H6N2S — CID 88538179

IUPACS-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine
SMILESC=N/C=C\SN
InChIInChI=1S/C3H6N2S/c1-5-2-3-6-4/h2-3H,1,4H2/b3-2-
InChIKeyLNDAGLIMOSIIHN-IHWYPQMZSA-N
MW102.16 g/mol
LogP0.77
Rot. Bonds2

About S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine

S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine (PubChem CID 88538179) has the molecular formula C3H6N2S and a molecular weight of 102.16 g/mol. Its IUPAC name is S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine
PubChem CID88538179
Molecular FormulaC3H6N2S
Molecular Weight102.16 g/mol
Exact Mass102.03
IUPAC NameS-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine
SMILESC=N/C=C\SN
InChIInChI=1S/C3H6N2S/c1-5-2-3-6-4/h2-3H,1,4H2/b3-2-
InChIKeyLNDAGLIMOSIIHN-IHWYPQMZSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine?
The IUPAC name of S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine (CID 88538179) is S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine.
What is the SMILES notation for S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine?
The canonical SMILES for S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine is C=N/C=C\SN.
What is the InChIKey of S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine?
The InChIKey is LNDAGLIMOSIIHN-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H6N2S/c1-5-2-3-6-4/h2-3H,1,4H2/b3-2-.
What are the key properties of S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine?
S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine has a molecular weight of 102.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(Z)-2-(methylideneamino)ethenyl]thiohydroxylamine is sourced from PubChem (CID 88538179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).