N-[(E)-3-methylsulfanylprop-2-enyl]methanimine

C5H9NS — CID 118675776

IUPACN-[(E)-3-methylsulfanylprop-2-enyl]methanimine
SMILESC=NC/C=C/SC
InChIInChI=1S/C5H9NS/c1-6-4-3-5-7-2/h3,5H,1,4H2,2H3/b5-3+
InChIKeyFXXUYKCXCMRCJN-HWKANZROSA-N
MW115.20 g/mol
LogP1.56
Rot. Bonds3

About N-[(E)-3-methylsulfanylprop-2-enyl]methanimine

N-[(E)-3-methylsulfanylprop-2-enyl]methanimine (PubChem CID 118675776) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-[(E)-3-methylsulfanylprop-2-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-3-methylsulfanylprop-2-enyl]methanimine
PubChem CID118675776
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-[(E)-3-methylsulfanylprop-2-enyl]methanimine
SMILESC=NC/C=C/SC
InChIInChI=1S/C5H9NS/c1-6-4-3-5-7-2/h3,5H,1,4H2,2H3/b5-3+
InChIKeyFXXUYKCXCMRCJN-HWKANZROSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.56
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

4H-1,3-Thiazine
CID 21989997
4h-1,3-Thiazine hydrobromide
CID 129823677
4h-1,3-Thiazine hydrochloride
CID 129823679
(E)-3-isothiocyanato-1-methylsulfanylprop-1-ene
CID 87195994
(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
CID 88945658
N-[(Z)-2-ethenylsulfanylprop-1-enyl]methanimine
CID 89337888
1-Isothiocyanato-4-methylsulfanylbut-2-ene
CID 91280696
ethenyl N-prop-1-enylmethanimidothioate
CID 91557697
N-(3-ethylsulfanylprop-2-enyl)methanimine
CID 123565097
N-(2-ethylsulfanylprop-2-enyl)methanimine
CID 129147822
N-[(Z)-3-methylsulfanylprop-2-enyl]methanimine
CID 132172389
N-[(E)-2-methylsulfanylbut-2-enyl]methanimine
CID 132265190

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylsulfanylprop-2-enyl]methanimine?
The IUPAC name of N-[(E)-3-methylsulfanylprop-2-enyl]methanimine (CID 118675776) is N-[(E)-3-methylsulfanylprop-2-enyl]methanimine.
What is the SMILES notation for N-[(E)-3-methylsulfanylprop-2-enyl]methanimine?
The canonical SMILES for N-[(E)-3-methylsulfanylprop-2-enyl]methanimine is C=NC/C=C/SC.
What is the InChIKey of N-[(E)-3-methylsulfanylprop-2-enyl]methanimine?
The InChIKey is FXXUYKCXCMRCJN-HWKANZROSA-N. The full InChI is InChI=1S/C5H9NS/c1-6-4-3-5-7-2/h3,5H,1,4H2,2H3/b5-3+.
What are the key properties of N-[(E)-3-methylsulfanylprop-2-enyl]methanimine?
N-[(E)-3-methylsulfanylprop-2-enyl]methanimine has a molecular weight of 115.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylsulfanylprop-2-enyl]methanimine is sourced from PubChem (CID 118675776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).