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

C7H15NS — CID 168907829

IUPACethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
SMILESC=C(C)S/N=C\C.CC
InChIInChI=1S/C5H9NS.C2H6/c1-4-6-7-5(2)3;1-2/h4H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyUDHHZYXSCFMUEJ-YHSAGPEESA-N
MW145.27 g/mol
LogP3.29
Rot. Bonds2

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

ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine (PubChem CID 168907829) has the molecular formula C7H15NS and a molecular weight of 145.27 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 CID168907829
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
SMILESC=C(C)S/N=C\C.CC
InChIInChI=1S/C5H9NS.C2H6/c1-4-6-7-5(2)3;1-2/h4H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyUDHHZYXSCFMUEJ-YHSAGPEESA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 53.29
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

(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 89264484
N-prop-1-enylsulfanylethanimine
CID 118029242
N-prop-1-en-2-ylsulfanylethanimine
CID 123475296
(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine
CID 142086070
(E)-N-[(E)-prop-1-enyl]sulfanylethanimine
CID 143368760
ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 143372619
(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane
CID 143767397
(Z)-N-[(Z)-but-2-en-2-yl]sulfanylpropan-1-imine
CID 145504305
ethane;(Z)-N-prop-1-en-2-ylsulfanylpropan-1-imine
CID 145627993
N-[(Z)-but-2-en-2-yl]sulfanylethanimine
CID 154043838
N-[(Z)-prop-1-enyl]sulfanylethanimine
CID 154043984
(Ethylideneamino)-oxido-prop-1-en-2-ylsulfanium
CID 173466561

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 168907829) 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.
What is the InChIKey of ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine?
The InChIKey is UDHHZYXSCFMUEJ-YHSAGPEESA-N. The full InChI is InChI=1S/C5H9NS.C2H6/c1-4-6-7-5(2)3;1-2/h4H,2H2,1,3H3;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 145.27 g/mol, XLogP of 3.29, 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 168907829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).