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

C21H45NS — CID 143718092

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

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

(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine (PubChem CID 143718092) has the molecular formula C21H45NS and a molecular weight of 343.67 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
PubChem CID143718092
Molecular FormulaC21H45NS
Molecular Weight343.67 g/mol
Exact Mass343.33
IUPAC Name(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
SMILESC/C=C1/C(C)=C(C)S/C1=N\C.C/C=C\C.CC.CC.CC.CC
InChIInChI=1S/C9H13NS.C4H8.4C2H6/c1-5-8-6(2)7(3)11-9(8)10-4;1-3-4-2;4*1-2/h5H,1-4H3;3-4H,1-2H3;4*1-2H3/b8-5-,10-9-;4-3-;;;;
InChIKeyGGNQHGOLKQJUGH-SBSLOPOUSA-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': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
hex-3-en-3-yl 5-ethyl-N-methylcyclohepta-1,3,6-triene-1-carboximidothioate
CID 123933451
N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 129225415
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
CID 143712501
(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718215
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole
CID 144513129
(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
(3Z)-3-butylidene-N-methylthiophen-2-imine
CID 144960236

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
The IUPAC name of (Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine (CID 143718092) is (Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine.
What is the SMILES notation for (Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
The canonical SMILES for (Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine is C/C=C1/C(C)=C(C)S/C1=N\C.C/C=C\C.CC.CC.CC.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
The InChIKey is GGNQHGOLKQJUGH-SBSLOPOUSA-N. The full InChI is InChI=1S/C9H13NS.C4H8.4C2H6/c1-5-8-6(2)7(3)11-9(8)10-4;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;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-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;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine is sourced from PubChem (CID 143718092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).