N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine

C8H15NS — CID 123303961

IUPACN-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine
SMILESC=CC=S(C)(C)=C/N=C/C
InChIInChI=1S/C8H15NS/c1-5-7-10(3,4)8-9-6-2/h5-8H,1H2,2-4H3/b9-6+
InChIKeyINGXLOSUDXAYDA-RMKNXTFCSA-N
MW157.28 g/mol
LogP1.89
Rot. Bonds2

About N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine

N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine (PubChem CID 123303961) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine.

Molecular Properties

Compound NameN-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine
PubChem CID123303961
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine
SMILESC=CC=S(C)(C)=C/N=C/C
InChIInChI=1S/C8H15NS/c1-5-7-10(3,4)8-9-6-2/h5-8H,1H2,2-4H3/b9-6+
InChIKeyINGXLOSUDXAYDA-RMKNXTFCSA-N
XLogP1.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine?
The IUPAC name of N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine (CID 123303961) is N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine.
What is the SMILES notation for N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine?
The canonical SMILES for N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine is C=CC=S(C)(C)=C/N=C/C.
What is the InChIKey of N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine?
The InChIKey is INGXLOSUDXAYDA-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-7-10(3,4)8-9-6-2/h5-8H,1H2,2-4H3/b9-6+.
What are the key properties of N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine?
N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine has a molecular weight of 157.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethyl(prop-2-enylidene)-λ6-sulfanylidene]methyl]ethanimine is sourced from PubChem (CID 123303961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).