2-[(Z)-prop-1-enyl]iminopropanethial

C6H9NS — CID 154954965

IUPAC2-[(Z)-prop-1-enyl]iminopropanethial
SMILESC/C=C\N=C(/C)C=S
InChIInChI=1S/C6H9NS/c1-3-4-7-6(2)5-8/h3-5H,1-2H3/b4-3-,7-6+
InChIKeyFXELWLLEMQPKBN-WWVFNRLHSA-N
MW127.21 g/mol
LogP1.98
Rot. Bonds2

About 2-[(Z)-prop-1-enyl]iminopropanethial

2-[(Z)-prop-1-enyl]iminopropanethial (PubChem CID 154954965) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]iminopropanethial.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]iminopropanethial
PubChem CID154954965
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2-[(Z)-prop-1-enyl]iminopropanethial
SMILESC/C=C\N=C(/C)C=S
InChIInChI=1S/C6H9NS/c1-3-4-7-6(2)5-8/h3-5H,1-2H3/b4-3-,7-6+
InChIKeyFXELWLLEMQPKBN-WWVFNRLHSA-N
XLogP1.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]iminopropanethial?
The IUPAC name of 2-[(Z)-prop-1-enyl]iminopropanethial (CID 154954965) is 2-[(Z)-prop-1-enyl]iminopropanethial.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]iminopropanethial?
The canonical SMILES for 2-[(Z)-prop-1-enyl]iminopropanethial is C/C=C\N=C(/C)C=S.
What is the InChIKey of 2-[(Z)-prop-1-enyl]iminopropanethial?
The InChIKey is FXELWLLEMQPKBN-WWVFNRLHSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-4-7-6(2)5-8/h3-5H,1-2H3/b4-3-,7-6+.
What are the key properties of 2-[(Z)-prop-1-enyl]iminopropanethial?
2-[(Z)-prop-1-enyl]iminopropanethial has a molecular weight of 127.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]iminopropanethial is sourced from PubChem (CID 154954965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).