N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine

C7H13NS — CID 138672631

IUPACN-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
SMILESC=N/C(=C\SCC)CC
InChIInChI=1S/C7H13NS/c1-4-7(8-3)6-9-5-2/h6H,3-5H2,1-2H3/b7-6-
InChIKeyHKOILZXOTYQWCZ-SREVYHEPSA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds4

About N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine

N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine (PubChem CID 138672631) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
PubChem CID138672631
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
SMILESC=N/C(=C\SCC)CC
InChIInChI=1S/C7H13NS/c1-4-7(8-3)6-9-5-2/h6H,3-5H2,1-2H3/b7-6-
InChIKeyHKOILZXOTYQWCZ-SREVYHEPSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.69
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-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
CID 139299399
N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine
CID 154642645
1-chloro-1,2-bis(ethylsulfanyl)ethene
CID 86104745
2-(methylideneamino)but-2-en-1-ol
CID 123260913
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine
CID 134406292
N-[(Z)-4-[6-(2,6-dimethylphenyl)-3-pyridinyl]-1-ethylsulfanylbut-1-en-3-yn-2-yl]methanimine
CID 143449012
2-ethylsulfanylethenyl-methyl-methylideneazanium
CID 123759652
(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 174264899

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine (CID 138672631) is N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine is C=N/C(=C\SCC)CC.
What is the InChIKey of N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine?
The InChIKey is HKOILZXOTYQWCZ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-7(8-3)6-9-5-2/h6H,3-5H2,1-2H3/b7-6-.
What are the key properties of N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine?
N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine has a molecular weight of 143.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine is sourced from PubChem (CID 138672631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).