N-ethyl-2-propan-2-ylidenethiophen-3-imine

C9H13NS — CID 170732074

IUPACN-ethyl-2-propan-2-ylidenethiophen-3-imine
SMILESCC/N=C1\C=CSC1=C(C)C
InChIInChI=1S/C9H13NS/c1-4-10-8-5-6-11-9(8)7(2)3/h5-6H,4H2,1-3H3/b10-8+
InChIKeyJRRGAIZHZFPIHI-CSKARUKUSA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds1

About N-ethyl-2-propan-2-ylidenethiophen-3-imine

N-ethyl-2-propan-2-ylidenethiophen-3-imine (PubChem CID 170732074) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylidenethiophen-3-imine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylidenethiophen-3-imine
PubChem CID170732074
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-ethyl-2-propan-2-ylidenethiophen-3-imine
SMILESCC/N=C1\C=CSC1=C(C)C
InChIInChI=1S/C9H13NS/c1-4-10-8-5-6-11-9(8)7(2)3/h5-6H,4H2,1-3H3/b10-8+
InChIKeyJRRGAIZHZFPIHI-CSKARUKUSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
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

2-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydro-1,3-thiazole
CID 11542847
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine
CID 123687327
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
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
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
CID 163710913
6-Methyl-2-methylsulfanyl-2,3-dihydropyridine
CID 163749334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylidenethiophen-3-imine?
The IUPAC name of N-ethyl-2-propan-2-ylidenethiophen-3-imine (CID 170732074) is N-ethyl-2-propan-2-ylidenethiophen-3-imine.
What is the SMILES notation for N-ethyl-2-propan-2-ylidenethiophen-3-imine?
The canonical SMILES for N-ethyl-2-propan-2-ylidenethiophen-3-imine is CC/N=C1\C=CSC1=C(C)C.
What is the InChIKey of N-ethyl-2-propan-2-ylidenethiophen-3-imine?
The InChIKey is JRRGAIZHZFPIHI-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-10-8-5-6-11-9(8)7(2)3/h5-6H,4H2,1-3H3/b10-8+.
What are the key properties of N-ethyl-2-propan-2-ylidenethiophen-3-imine?
N-ethyl-2-propan-2-ylidenethiophen-3-imine has a molecular weight of 167.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylidenethiophen-3-imine is sourced from PubChem (CID 170732074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).