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

C12H21NS — CID 143858158

IUPAC(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
SMILESCC.CC/C(C)=C1/SC(C)=C/C1=N\C
InChIInChI=1S/C10H15NS.C2H6/c1-5-7(2)10-9(11-4)6-8(3)12-10;1-2/h6H,5H2,1-4H3;1-2H3/b10-7+,11-9+;
InChIKeyOXMHUNJSEKWUDF-MIEZCDQOSA-N
MW211.37 g/mol
LogP4.42
Rot. Bonds1

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

(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane (PubChem CID 143858158) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
PubChem CID143858158
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
SMILESCC.CC/C(C)=C1/SC(C)=C/C1=N\C
InChIInChI=1S/C10H15NS.C2H6/c1-5-7(2)10-9(11-4)6-8(3)12-10;1-2/h6H,5H2,1-4H3;1-2H3/b10-7+,11-9+;
InChIKeyOXMHUNJSEKWUDF-MIEZCDQOSA-N
XLogP4.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.42
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

(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
(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-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342777
(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342778
2,5-dimethyl-7H-thieno[2,3-d]azepine
CID 167073594
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073
(3Z,6Z)-N,2-dimethyl-4-methylsulfanylnona-1,3,6,8-tetraen-5-imine;ethane
CID 177982784
(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
CID 143331734
(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718216

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
The IUPAC name of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane (CID 143858158) is (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane.
What is the SMILES notation for (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
The canonical SMILES for (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane is CC.CC/C(C)=C1/SC(C)=C/C1=N\C.
What is the InChIKey of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
The InChIKey is OXMHUNJSEKWUDF-MIEZCDQOSA-N. The full InChI is InChI=1S/C10H15NS.C2H6/c1-5-7(2)10-9(11-4)6-8(3)12-10;1-2/h6H,5H2,1-4H3;1-2H3/b10-7+,11-9+;.
What are the key properties of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane?
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane has a molecular weight of 211.37 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane is sourced from PubChem (CID 143858158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).