(4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione

C10H12N2S2 — CID 172844178

IUPAC(4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione
SMILESCCN1C/C(=C/c2ccsc2)NC1=S
InChIInChI=1S/C10H12N2S2/c1-2-12-6-9(11-10(12)13)5-8-3-4-14-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/b9-5-
InChIKeyXESBGXGAPSNGAP-UITAMQMPSA-N
MW224.35 g/mol
LogP2.30
Rot. Bonds2

About (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione

(4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione (PubChem CID 172844178) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione.

Molecular Properties

Compound Name(4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione
PubChem CID172844178
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name(4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione
SMILESCCN1C/C(=C/c2ccsc2)NC1=S
InChIInChI=1S/C10H12N2S2/c1-2-12-6-9(11-10(12)13)5-8-3-4-14-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/b9-5-
InChIKeyXESBGXGAPSNGAP-UITAMQMPSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
CID 156538242
(5E)-3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 2261082
(3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one
CID 2392104
3-[(E)-but-1-enyl]thiophene
CID 15047169
(5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 91989718
3-(cyclobutylidenemethyl)thiophene
CID 144506792
1-(4-chlorophenyl)-3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinane-4,6-dione
CID 1306776
(3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one
CID 47006177
(5E)-1-(2,5-dimethylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinane-4,6-dione
CID 126251331
3-[(1E)-4-methylpenta-1,4-dienyl]thiophene
CID 18954556
N-methyl-3-thiophen-3-ylprop-2-en-1-amine
CID 79347337
1-(3-methoxyphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinane-4,6-dione
CID 680863

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione?
The IUPAC name of (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione (CID 172844178) is (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione.
What is the SMILES notation for (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione?
The canonical SMILES for (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione is CCN1C/C(=C/c2ccsc2)NC1=S.
What is the InChIKey of (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione?
The InChIKey is XESBGXGAPSNGAP-UITAMQMPSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-2-12-6-9(11-10(12)13)5-8-3-4-14-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/b9-5-.
What are the key properties of (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione?
(4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione has a molecular weight of 224.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione is sourced from PubChem (CID 172844178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).