ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine

C10H15NS — CID 178004056

IUPACethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
SMILESC=C/N=C1\C=CS\C1=C\C.CC
InChIInChI=1S/C8H9NS.C2H6/c1-3-8-7(9-4-2)5-6-10-8;1-2/h3-6H,2H2,1H3;1-2H3/b8-3+,9-7+;
InChIKeyUJUHMBQIIMQMQK-KGGULVSDSA-N
MW181.30 g/mol
LogP3.76
Rot. Bonds1

About ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine

ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine (PubChem CID 178004056) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine.

Molecular Properties

Compound Nameethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
PubChem CID178004056
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Nameethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
SMILESC=C/N=C1\C=CS\C1=C\C.CC
InChIInChI=1S/C8H9NS.C2H6/c1-3-8-7(9-4-2)5-6-10-8;1-2/h3-6H,2H2,1H3;1-2H3/b8-3+,9-7+;
InChIKeyUJUHMBQIIMQMQK-KGGULVSDSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.76
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

(2E)-2-butylidene-3-methyl-1,4-thiazine
CID 123512371
6-Propan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138746138
2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole
CID 139455900
ethane;(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864707
ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891117
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
7-methyl-4-methylsulfanyl-4H-azepine
CID 167149974
(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170732057
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073
(2E)-N-(1-chloroethenyl)-2-ethylidenethiophen-3-imine
CID 174008858
Thienoazocine
CID 137210187
(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864708

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
The IUPAC name of ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine (CID 178004056) is ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine.
What is the SMILES notation for ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
The canonical SMILES for ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine is C=C/N=C1\C=CS\C1=C\C.CC.
What is the InChIKey of ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
The InChIKey is UJUHMBQIIMQMQK-KGGULVSDSA-N. The full InChI is InChI=1S/C8H9NS.C2H6/c1-3-8-7(9-4-2)5-6-10-8;1-2/h3-6H,2H2,1H3;1-2H3/b8-3+,9-7+;.
What are the key properties of ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine has a molecular weight of 181.30 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine is sourced from PubChem (CID 178004056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).