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

C5H9NS — CID 130370570

IUPAC(Z)-N-methylsulfanylbut-3-en-2-imine
SMILESC=C/C(C)=N\SC
InChIInChI=1S/C5H9NS/c1-4-5(2)6-7-3/h4H,1H2,2-3H3/b6-5-
InChIKeyLAJZFOKWILFLIY-WAYWQWQTSA-N
MW115.20 g/mol
LogP1.91
Rot. Bonds2

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

(Z)-N-methylsulfanylbut-3-en-2-imine (PubChem CID 130370570) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (Z)-N-methylsulfanylbut-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-methylsulfanylbut-3-en-2-imine
PubChem CID130370570
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(Z)-N-methylsulfanylbut-3-en-2-imine
SMILESC=C/C(C)=N\SC
InChIInChI=1S/C5H9NS/c1-4-5(2)6-7-3/h4H,1H2,2-3H3/b6-5-
InChIKeyLAJZFOKWILFLIY-WAYWQWQTSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.91
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

N-methylsulfanylbut-3-en-2-imine
CID 123329853
(Z)-N-ethenylsulfanylbut-3-en-2-imine
CID 132011702
ethane;(Z)-N-ethylsulfanylbut-3-en-2-imine
CID 143379641
ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine
CID 143379690
ethane;(Z)-N-methylsulfanylbut-3-en-2-imine
CID 143422271
ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine
CID 144524029
ethane;(Z)-N-methylsulfanylbut-3-en-2-imine
CID 156888281
N-ethenylsulfanylbut-3-en-2-imine
CID 157795702
(Z)-N-methylsulfanylpent-3-en-2-imine
CID 173738714
4-methyl-N-methylsulfanylpent-1-en-3-imine
CID 173802983
(Z)-N-ethylsulfanylbut-3-en-2-imine
CID 143379642

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methylsulfanylbut-3-en-2-imine?
The IUPAC name of (Z)-N-methylsulfanylbut-3-en-2-imine (CID 130370570) is (Z)-N-methylsulfanylbut-3-en-2-imine.
What is the SMILES notation for (Z)-N-methylsulfanylbut-3-en-2-imine?
The canonical SMILES for (Z)-N-methylsulfanylbut-3-en-2-imine is C=C/C(C)=N\SC.
What is the InChIKey of (Z)-N-methylsulfanylbut-3-en-2-imine?
The InChIKey is LAJZFOKWILFLIY-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(2)6-7-3/h4H,1H2,2-3H3/b6-5-.
What are the key properties of (Z)-N-methylsulfanylbut-3-en-2-imine?
(Z)-N-methylsulfanylbut-3-en-2-imine has a molecular weight of 115.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methylsulfanylbut-3-en-2-imine is sourced from PubChem (CID 130370570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).