S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine

C4H8N2S — CID 89298015

IUPACS-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine
SMILESC=N/C=C(/C)SN
InChIInChI=1S/C4H8N2S/c1-4(7-5)3-6-2/h3H,2,5H2,1H3/b4-3-
InChIKeyNGMDJULNFRZEFB-ARJAWSKDSA-N
MW116.19 g/mol
LogP1.16
Rot. Bonds2

About S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine

S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine (PubChem CID 89298015) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine
PubChem CID89298015
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC NameS-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine
SMILESC=N/C=C(/C)SN
InChIInChI=1S/C4H8N2S/c1-4(7-5)3-6-2/h3H,2,5H2,1H3/b4-3-
InChIKeyNGMDJULNFRZEFB-ARJAWSKDSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.16
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)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine?
The IUPAC name of S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine (CID 89298015) is S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine.
What is the SMILES notation for S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine?
The canonical SMILES for S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine is C=N/C=C(/C)SN.
What is the InChIKey of S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine?
The InChIKey is NGMDJULNFRZEFB-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8N2S/c1-4(7-5)3-6-2/h3H,2,5H2,1H3/b4-3-.
What are the key properties of S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine?
S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine has a molecular weight of 116.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine is sourced from PubChem (CID 89298015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).