N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine

C7H11NS — CID 146323002

IUPACN-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine
SMILESC=CS/C(C)=C\N=C\C
InChIInChI=1S/C7H11NS/c1-4-8-6-7(3)9-5-2/h4-6H,2H2,1,3H3/b7-6-,8-4+
InChIKeyGEQABRALKYOVJH-AKAREZBESA-N
MW141.24 g/mol
LogP2.82
Rot. Bonds3

About N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine

N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine (PubChem CID 146323002) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine
PubChem CID146323002
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine
SMILESC=CS/C(C)=C\N=C\C
InChIInChI=1S/C7H11NS/c1-4-8-6-7(3)9-5-2/h4-6H,2H2,1,3H3/b7-6-,8-4+
InChIKeyGEQABRALKYOVJH-AKAREZBESA-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-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine (CID 146323002) is N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine is C=CS/C(C)=C\N=C\C.
What is the InChIKey of N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine?
The InChIKey is GEQABRALKYOVJH-AKAREZBESA-N. The full InChI is InChI=1S/C7H11NS/c1-4-8-6-7(3)9-5-2/h4-6H,2H2,1,3H3/b7-6-,8-4+.
What are the key properties of N-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine?
N-[(Z)-2-ethenylsulfanylprop-1-enyl]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-[(Z)-2-ethenylsulfanylprop-1-enyl]ethanimine is sourced from PubChem (CID 146323002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).