(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine

C21H45NS — CID 143718215

IUPAC(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
SMILESC/C=C1/SC(C)=C(C)/C1=N\C.C/C=C\C.CC.CC.CC.CC
InChIInChI=1S/C9H13NS.C4H8.4C2H6/c1-5-8-9(10-4)6(2)7(3)11-8;1-3-4-2;4*1-2/h5H,1-4H3;3-4H,1-2H3;4*1-2H3/b8-5+,10-9+;4-3-;;;;
InChIKeyIXMNETUPFGBWSL-ITABUCRVSA-N
MW343.67 g/mol
LogP8.69
Rot. Bonds

About (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine

(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine (PubChem CID 143718215) has the molecular formula C21H45NS and a molecular weight of 343.67 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
PubChem CID143718215
Molecular FormulaC21H45NS
Molecular Weight343.67 g/mol
Exact Mass343.33
IUPAC Name(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
SMILESC/C=C1/SC(C)=C(C)/C1=N\C.C/C=C\C.CC.CC.CC.CC
InChIInChI=1S/C9H13NS.C4H8.4C2H6/c1-5-8-9(10-4)6(2)7(3)11-8;1-3-4-2;4*1-2/h5H,1-4H3;3-4H,1-2H3;4*1-2H3/b8-5+,10-9+;4-3-;;;;
InChIKeyIXMNETUPFGBWSL-ITABUCRVSA-N
XLogP8.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine with MolForge

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Related Compounds

(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
CID 143858138
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858158
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
ethane;(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine;propane
CID 172567417
[(Z)-but-2-en-2-yl] N-methyl-2-propan-2-ylidenehex-5-enimidothioate
CID 173747000
(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718216
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine
CID 143858139
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858159
(6Z)-6-ethylidene-N-methyl-4-[(1Z)-3-methyl-2-prop-1-en-2-ylsulfanylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-imine
CID 145557708

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
The IUPAC name of (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine (CID 143718215) is (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine.
What is the SMILES notation for (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
The canonical SMILES for (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine is C/C=C1/SC(C)=C(C)/C1=N\C.C/C=C\C.CC.CC.CC.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
The InChIKey is IXMNETUPFGBWSL-ITABUCRVSA-N. The full InChI is InChI=1S/C9H13NS.C4H8.4C2H6/c1-5-8-9(10-4)6(2)7(3)11-8;1-3-4-2;4*1-2/h5H,1-4H3;3-4H,1-2H3;4*1-2H3/b8-5+,10-9+;4-3-;;;;.
What are the key properties of (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine has a molecular weight of 343.67 g/mol, XLogP of 8.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine is sourced from PubChem (CID 143718215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).