3-ethylidene-N-methylthiophen-2-imine

C7H9NS — CID 123936114

IUPAC3-ethylidene-N-methylthiophen-2-imine
SMILESCC=C1C=CS/C1=N\C
InChIInChI=1S/C7H9NS/c1-3-6-4-5-9-7(6)8-2/h3-5H,1-2H3/b6-3?,8-7-
InChIKeyFQFUKRQVJSRRFI-GBMQTCIOSA-N
MW139.22 g/mol
LogP2.22
Rot. Bonds

About 3-ethylidene-N-methylthiophen-2-imine

3-ethylidene-N-methylthiophen-2-imine (PubChem CID 123936114) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 3-ethylidene-N-methylthiophen-2-imine.

Molecular Properties

Compound Name3-ethylidene-N-methylthiophen-2-imine
PubChem CID123936114
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name3-ethylidene-N-methylthiophen-2-imine
SMILESCC=C1C=CS/C1=N\C
InChIInChI=1S/C7H9NS/c1-3-6-4-5-9-7(6)8-2/h3-5H,1-2H3/b6-3?,8-7-
InChIKeyFQFUKRQVJSRRFI-GBMQTCIOSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.22
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'}

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Related Compounds

4-methyl-5H-thieno[2,3-b]pyrrole
CID 20674259
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
5H-thieno[2,3-b]pyrrole
CID 123319904
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine
CID 143154757
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-methyl-2H-1,3-thiazete
CID 144486556
(3Z)-3-butylidene-N-methylthiophen-2-imine
CID 144960236
ethane;(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640282
ethenyl N-methyl-2-methylidenebutanimidothioate
CID 157048652
(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine
CID 163393001
(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane
CID 163393108

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-N-methylthiophen-2-imine?
The IUPAC name of 3-ethylidene-N-methylthiophen-2-imine (CID 123936114) is 3-ethylidene-N-methylthiophen-2-imine.
What is the SMILES notation for 3-ethylidene-N-methylthiophen-2-imine?
The canonical SMILES for 3-ethylidene-N-methylthiophen-2-imine is CC=C1C=CS/C1=N\C.
What is the InChIKey of 3-ethylidene-N-methylthiophen-2-imine?
The InChIKey is FQFUKRQVJSRRFI-GBMQTCIOSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-6-4-5-9-7(6)8-2/h3-5H,1-2H3/b6-3?,8-7-.
What are the key properties of 3-ethylidene-N-methylthiophen-2-imine?
3-ethylidene-N-methylthiophen-2-imine has a molecular weight of 139.22 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-N-methylthiophen-2-imine is sourced from PubChem (CID 123936114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).