(Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine

C6H9NS — CID 144796564

IUPAC(Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine
SMILESC=C/C=N\S/C=C\C
InChIInChI=1S/C6H9NS/c1-3-5-7-8-6-4-2/h3-6H,1H2,2H3/b6-4-,7-5-
InChIKeyOQWJAUKFWSPMDH-PEPZGXQESA-N
MW127.21 g/mol
LogP2.42
Rot. Bonds3

About (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine

(Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine (PubChem CID 144796564) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine
PubChem CID144796564
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine
SMILESC=C/C=N\S/C=C\C
InChIInChI=1S/C6H9NS/c1-3-5-7-8-6-4-2/h3-6H,1H2,2H3/b6-4-,7-5-
InChIKeyOQWJAUKFWSPMDH-PEPZGXQESA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
The IUPAC name of (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine (CID 144796564) is (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine is C=C/C=N\S/C=C\C.
What is the InChIKey of (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
The InChIKey is OQWJAUKFWSPMDH-PEPZGXQESA-N. The full InChI is InChI=1S/C6H9NS/c1-3-5-7-8-6-4-2/h3-6H,1H2,2H3/b6-4-,7-5-.
What are the key properties of (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
(Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine has a molecular weight of 127.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine is sourced from PubChem (CID 144796564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).