ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine

C11H17NS — CID 142981534

IUPACethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
SMILESC=C/N=C1\SC(C)=C\C1=C\C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-8-6-7(3)11-9(8)10-5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b8-4-,10-9-;
InChIKeyFZEFUCGHQQNXIU-NRUQKKSJSA-N
MW195.33 g/mol
LogP4.15
Rot. Bonds1

About ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine

ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine (PubChem CID 142981534) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine.

Molecular Properties

Compound Nameethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
PubChem CID142981534
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Nameethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
SMILESC=C/N=C1\SC(C)=C\C1=C\C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-8-6-7(3)11-9(8)10-5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b8-4-,10-9-;
InChIKeyFZEFUCGHQQNXIU-NRUQKKSJSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 129225415
(4-ethylcyclohepta-1,3,5,6-tetraen-1-yl) N-[(Z)-prop-1-enyl]ethanimidothioate
CID 142206857
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 144840803
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
CID 153342683
(3E)-N-ethyl-5-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342788
2H-thieno[2,3-b]azepine
CID 154275911
(3E)-N-[(E)-but-1-enyl]-4,5-dimethyl-3-pentan-2-ylidenethiophen-2-imine
CID 154967455
(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane
CID 163393108
5-Ethyl-2,5-dimethylthieno[2,3-b]azepine
CID 163724687

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine?
The IUPAC name of ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine (CID 142981534) is ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine.
What is the SMILES notation for ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine?
The canonical SMILES for ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine is C=C/N=C1\SC(C)=C\C1=C\C.CC.
What is the InChIKey of ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine?
The InChIKey is FZEFUCGHQQNXIU-NRUQKKSJSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-8-6-7(3)11-9(8)10-5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b8-4-,10-9-;.
What are the key properties of ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine?
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine has a molecular weight of 195.33 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine is sourced from PubChem (CID 142981534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).