ethane;methanethione;(Z)-N-methylbut-2-en-1-imine

C10H23NS — CID 144519315

IUPACethane;methanethione;(Z)-N-methylbut-2-en-1-imine
SMILESC/C=C\C=N\C.C=S.CC.CC
InChIInChI=1S/C5H9N.2C2H6.CH2S/c1-3-4-5-6-2;3*1-2/h3-5H,1-2H3;2*1-2H3;1H2/b4-3-,6-5+;;;
InChIKeyFFGQMNPMMKGYOQ-YCTVIKNQSA-N
MW189.37 g/mol
LogP3.93
Rot. Bonds1

About ethane;methanethione;(Z)-N-methylbut-2-en-1-imine

ethane;methanethione;(Z)-N-methylbut-2-en-1-imine (PubChem CID 144519315) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is ethane;methanethione;(Z)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;methanethione;(Z)-N-methylbut-2-en-1-imine
PubChem CID144519315
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Nameethane;methanethione;(Z)-N-methylbut-2-en-1-imine
SMILESC/C=C\C=N\C.C=S.CC.CC
InChIInChI=1S/C5H9N.2C2H6.CH2S/c1-3-4-5-6-2;3*1-2/h3-5H,1-2H3;2*1-2H3;1H2/b4-3-,6-5+;;;
InChIKeyFFGQMNPMMKGYOQ-YCTVIKNQSA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methanethione;(Z)-N-methylbut-2-en-1-imine?
The IUPAC name of ethane;methanethione;(Z)-N-methylbut-2-en-1-imine (CID 144519315) is ethane;methanethione;(Z)-N-methylbut-2-en-1-imine.
What is the SMILES notation for ethane;methanethione;(Z)-N-methylbut-2-en-1-imine?
The canonical SMILES for ethane;methanethione;(Z)-N-methylbut-2-en-1-imine is C/C=C\C=N\C.C=S.CC.CC.
What is the InChIKey of ethane;methanethione;(Z)-N-methylbut-2-en-1-imine?
The InChIKey is FFGQMNPMMKGYOQ-YCTVIKNQSA-N. The full InChI is InChI=1S/C5H9N.2C2H6.CH2S/c1-3-4-5-6-2;3*1-2/h3-5H,1-2H3;2*1-2H3;1H2/b4-3-,6-5+;;;.
What are the key properties of ethane;methanethione;(Z)-N-methylbut-2-en-1-imine?
ethane;methanethione;(Z)-N-methylbut-2-en-1-imine has a molecular weight of 189.37 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethione;(Z)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 144519315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).