(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane

C12H19NS — CID 143858162

IUPAC(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
SMILESC=C/C(C)=C1/SC(C)=C/C1=N\C.CC
InChIInChI=1S/C10H13NS.C2H6/c1-5-7(2)10-9(11-4)6-8(3)12-10;1-2/h5-6H,1H2,2-4H3;1-2H3/b10-7+,11-9+;
InChIKeyYOMSFGASJGDVHD-MIEZCDQOSA-N
MW209.36 g/mol
LogP4.19
Rot. Bonds1

About (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane

(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane (PubChem CID 143858162) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane.

Molecular Properties

Compound Name(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
PubChem CID143858162
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
SMILESC=C/C(C)=C1/SC(C)=C/C1=N\C.CC
InChIInChI=1S/C10H13NS.C2H6/c1-5-7(2)10-9(11-4)6-8(3)12-10;1-2/h5-6H,1H2,2-4H3;1-2H3/b10-7+,11-9+;
InChIKeyYOMSFGASJGDVHD-MIEZCDQOSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-methylsulfanylhepta-1,4,6-trien-3-imine
CID 123528853
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(6E)-N-ethyl-6-(3-propan-2-ylsulfanylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 139572395
(5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole
CID 142178524
6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine
CID 142809452
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718215
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
CID 143858163
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
CID 153342683

Frequently Asked Questions

What is the IUPAC name of (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
The IUPAC name of (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane (CID 143858162) is (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane.
What is the SMILES notation for (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
The canonical SMILES for (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane is C=C/C(C)=C1/SC(C)=C/C1=N\C.CC.
What is the InChIKey of (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
The InChIKey is YOMSFGASJGDVHD-MIEZCDQOSA-N. The full InChI is InChI=1S/C10H13NS.C2H6/c1-5-7(2)10-9(11-4)6-8(3)12-10;1-2/h5-6H,1H2,2-4H3;1-2H3/b10-7+,11-9+;.
What are the key properties of (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane has a molecular weight of 209.36 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane is sourced from PubChem (CID 143858162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).