(E)-3-methylsulfanylpent-2-en-1-imine

C6H11NS — CID 146664094

IUPAC(E)-3-methylsulfanylpent-2-en-1-imine
SMILES[H]/N=C/C=C(\CC)SC
InChIInChI=1S/C6H11NS/c1-3-6(8-2)4-5-7/h4-5,7H,3H2,1-2H3/b6-4+,7-5+
InChIKeyLZOBEAJKVGBYDX-YDFGWWAZSA-N
MW129.23 g/mol
LogP2.29
Rot. Bonds3

About (E)-3-methylsulfanylpent-2-en-1-imine

(E)-3-methylsulfanylpent-2-en-1-imine (PubChem CID 146664094) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (E)-3-methylsulfanylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-methylsulfanylpent-2-en-1-imine
PubChem CID146664094
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(E)-3-methylsulfanylpent-2-en-1-imine
SMILES[H]/N=C/C=C(\CC)SC
InChIInChI=1S/C6H11NS/c1-3-6(8-2)4-5-7/h4-5,7H,3H2,1-2H3/b6-4+,7-5+
InChIKeyLZOBEAJKVGBYDX-YDFGWWAZSA-N
XLogP2.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 (E)-3-methylsulfanylpent-2-en-1-imine?
The IUPAC name of (E)-3-methylsulfanylpent-2-en-1-imine (CID 146664094) is (E)-3-methylsulfanylpent-2-en-1-imine.
What is the SMILES notation for (E)-3-methylsulfanylpent-2-en-1-imine?
The canonical SMILES for (E)-3-methylsulfanylpent-2-en-1-imine is [H]/N=C/C=C(\CC)SC.
What is the InChIKey of (E)-3-methylsulfanylpent-2-en-1-imine?
The InChIKey is LZOBEAJKVGBYDX-YDFGWWAZSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-6(8-2)4-5-7/h4-5,7H,3H2,1-2H3/b6-4+,7-5+.
What are the key properties of (E)-3-methylsulfanylpent-2-en-1-imine?
(E)-3-methylsulfanylpent-2-en-1-imine has a molecular weight of 129.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfanylpent-2-en-1-imine is sourced from PubChem (CID 146664094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).