N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine

C8H13NS — CID 123521389

IUPACN-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine
SMILESC=C(/C=N/C=C(C)C)SC
InChIInChI=1S/C8H13NS/c1-7(2)5-9-6-8(3)10-4/h5-6H,3H2,1-2,4H3/b9-6+
InChIKeyBNBPTPPSWHEGJU-RMKNXTFCSA-N
MW155.27 g/mol
LogP2.86
Rot. Bonds3

About N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine

N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine (PubChem CID 123521389) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine
PubChem CID123521389
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine
SMILESC=C(/C=N/C=C(C)C)SC
InChIInChI=1S/C8H13NS/c1-7(2)5-9-6-8(3)10-4/h5-6H,3H2,1-2,4H3/b9-6+
InChIKeyBNBPTPPSWHEGJU-RMKNXTFCSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methylprop-1-enylsulfanyl)prop-2-en-1-imine
CID 91360224
N-methyl-2-methylsulfanylprop-2-en-1-imine
CID 121247619
N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine
CID 123978732
N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine
CID 129194179
2,5-dimethyl-2H-1,3-thiazine;ethane
CID 143985701
N-[(Z)-2-methyl-3-propylsulfanylprop-1-enyl]ethanimine
CID 167223519
(E)-N-ethyl-N'-methylidene-2-methylsulfanylprop-2-ene-1,3-diimine
CID 169924606
[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium
CID 13262638

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine?
The IUPAC name of N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine (CID 123521389) is N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine.
What is the SMILES notation for N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine?
The canonical SMILES for N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine is C=C(/C=N/C=C(C)C)SC.
What is the InChIKey of N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine?
The InChIKey is BNBPTPPSWHEGJU-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(2)5-9-6-8(3)10-4/h5-6H,3H2,1-2,4H3/b9-6+.
What are the key properties of N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine?
N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine has a molecular weight of 155.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine is sourced from PubChem (CID 123521389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).