N-(2-prop-1-enylsulfanylethenyl)ethanimine

C7H11NS — CID 123338893

IUPACN-(2-prop-1-enylsulfanylethenyl)ethanimine
SMILESCC=CSC=C/N=C/C
InChIInChI=1S/C7H11NS/c1-3-6-9-7-5-8-4-2/h3-7H,1-2H3/b6-3?,7-5?,8-4+
InChIKeyLOYCZLMQOVIZIU-NIQOXMNDSA-N
MW141.24 g/mol
LogP2.82
Rot. Bonds3

About N-(2-prop-1-enylsulfanylethenyl)ethanimine

N-(2-prop-1-enylsulfanylethenyl)ethanimine (PubChem CID 123338893) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N-(2-prop-1-enylsulfanylethenyl)ethanimine.

Molecular Properties

Compound NameN-(2-prop-1-enylsulfanylethenyl)ethanimine
PubChem CID123338893
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN-(2-prop-1-enylsulfanylethenyl)ethanimine
SMILESCC=CSC=C/N=C/C
InChIInChI=1S/C7H11NS/c1-3-6-9-7-5-8-4-2/h3-7H,1-2H3/b6-3?,7-5?,8-4+
InChIKeyLOYCZLMQOVIZIU-NIQOXMNDSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-1-enylsulfanylethenyl)ethanimine?
The IUPAC name of N-(2-prop-1-enylsulfanylethenyl)ethanimine (CID 123338893) is N-(2-prop-1-enylsulfanylethenyl)ethanimine.
What is the SMILES notation for N-(2-prop-1-enylsulfanylethenyl)ethanimine?
The canonical SMILES for N-(2-prop-1-enylsulfanylethenyl)ethanimine is CC=CSC=C/N=C/C.
What is the InChIKey of N-(2-prop-1-enylsulfanylethenyl)ethanimine?
The InChIKey is LOYCZLMQOVIZIU-NIQOXMNDSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-6-9-7-5-8-4-2/h3-7H,1-2H3/b6-3?,7-5?,8-4+.
What are the key properties of N-(2-prop-1-enylsulfanylethenyl)ethanimine?
N-(2-prop-1-enylsulfanylethenyl)ethanimine has a molecular weight of 141.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-1-enylsulfanylethenyl)ethanimine is sourced from PubChem (CID 123338893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).