(Z)-N-ethylsulfanylbut-3-en-2-imine

C6H11NS — CID 143379642

IUPAC(Z)-N-ethylsulfanylbut-3-en-2-imine
SMILESC=C/C(C)=N\SCC
InChIInChI=1S/C6H11NS/c1-4-6(3)7-8-5-2/h4H,1,5H2,2-3H3/b7-6-
InChIKeyROSDVAOPXNKAAX-SREVYHEPSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds3

About (Z)-N-ethylsulfanylbut-3-en-2-imine

(Z)-N-ethylsulfanylbut-3-en-2-imine (PubChem CID 143379642) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (Z)-N-ethylsulfanylbut-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-ethylsulfanylbut-3-en-2-imine
PubChem CID143379642
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(Z)-N-ethylsulfanylbut-3-en-2-imine
SMILESC=C/C(C)=N\SCC
InChIInChI=1S/C6H11NS/c1-4-6(3)7-8-5-2/h4H,1,5H2,2-3H3/b7-6-
InChIKeyROSDVAOPXNKAAX-SREVYHEPSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1,2-thiazole 1-oxide
CID 57269290
(Z)-4-methylsulfanylbut-3-en-2-imine
CID 89361586
3,4-Dimethyl-1-thia-2-azacyclohepta-2,4,5-triene
CID 121306791
N-methylsulfanylbut-3-en-2-imine
CID 123329853
N-prop-1-enylsulfanylpropan-2-imine
CID 123738911
3-Methyl-1-thia-2-azacyclohexa-2,4,5-triene
CID 129288095
(Z)-N-methylsulfanylbut-3-en-2-imine
CID 130370570
(Z)-N-ethenylsulfanylbut-3-en-2-imine
CID 132011702
(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine
CID 138478171
2-Methyliminobut-3-ene-1-thiol
CID 143106642
ethane;(Z)-N-ethylsulfanylbut-3-en-2-imine
CID 143379641
ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine
CID 143379690

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylsulfanylbut-3-en-2-imine?
The IUPAC name of (Z)-N-ethylsulfanylbut-3-en-2-imine (CID 143379642) is (Z)-N-ethylsulfanylbut-3-en-2-imine.
What is the SMILES notation for (Z)-N-ethylsulfanylbut-3-en-2-imine?
The canonical SMILES for (Z)-N-ethylsulfanylbut-3-en-2-imine is C=C/C(C)=N\SCC.
What is the InChIKey of (Z)-N-ethylsulfanylbut-3-en-2-imine?
The InChIKey is ROSDVAOPXNKAAX-SREVYHEPSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-6(3)7-8-5-2/h4H,1,5H2,2-3H3/b7-6-.
What are the key properties of (Z)-N-ethylsulfanylbut-3-en-2-imine?
(Z)-N-ethylsulfanylbut-3-en-2-imine has a molecular weight of 129.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylsulfanylbut-3-en-2-imine is sourced from PubChem (CID 143379642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).