N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine

C9H15NS2 — CID 155394934

IUPACN-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine
SMILESC=N/C(S/C(C)=C\C)=C(/C)SC
InChIInChI=1S/C9H15NS2/c1-6-7(2)12-9(10-4)8(3)11-5/h6H,4H2,1-3,5H3/b7-6-,9-8+
InChIKeyTWFVMRBYHOSGEK-NMMTYZSQSA-N
MW201.36 g/mol
LogP3.90
Rot. Bonds4

About N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine

N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine (PubChem CID 155394934) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine
PubChem CID155394934
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC NameN-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine
SMILESC=N/C(S/C(C)=C\C)=C(/C)SC
InChIInChI=1S/C9H15NS2/c1-6-7(2)12-9(10-4)8(3)11-5/h6H,4H2,1-3,5H3/b7-6-,9-8+
InChIKeyTWFVMRBYHOSGEK-NMMTYZSQSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
CID 144683266

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine?
The IUPAC name of N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine (CID 155394934) is N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine is C=N/C(S/C(C)=C\C)=C(/C)SC.
What is the InChIKey of N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine?
The InChIKey is TWFVMRBYHOSGEK-NMMTYZSQSA-N. The full InChI is InChI=1S/C9H15NS2/c1-6-7(2)12-9(10-4)8(3)11-5/h6H,4H2,1-3,5H3/b7-6-,9-8+.
What are the key properties of N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine?
N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine has a molecular weight of 201.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine is sourced from PubChem (CID 155394934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).