ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine

C9H21NS — CID 143372619

IUPACethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
SMILESC=C(C)S/N=C\C.CC.CC
InChIInChI=1S/C5H9NS.2C2H6/c1-4-6-7-5(2)3;2*1-2/h4H,2H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyODBBKYGIBVBHBG-XFUGJFOESA-N
MW175.34 g/mol
LogP4.31
Rot. Bonds2

About ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine

ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine (PubChem CID 143372619) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
PubChem CID143372619
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Nameethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
SMILESC=C(C)S/N=C\C.CC.CC
InChIInChI=1S/C5H9NS.2C2H6/c1-4-6-7-5(2)3;2*1-2/h4H,2H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyODBBKYGIBVBHBG-XFUGJFOESA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine?
The IUPAC name of ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine (CID 143372619) is ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine.
What is the SMILES notation for ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine?
The canonical SMILES for ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine is C=C(C)S/N=C\C.CC.CC.
What is the InChIKey of ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine?
The InChIKey is ODBBKYGIBVBHBG-XFUGJFOESA-N. The full InChI is InChI=1S/C5H9NS.2C2H6/c1-4-6-7-5(2)3;2*1-2/h4H,2H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine?
ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine has a molecular weight of 175.34 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine is sourced from PubChem (CID 143372619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).