2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial

C8H9NS — CID 123827472

IUPAC2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial
SMILESCC=c1cc[nH]c1=CC=S
InChIInChI=1S/C8H9NS/c1-2-7-3-5-9-8(7)4-6-10/h2-6,9H,1H3
InChIKeyAYIPDZIHBOHLEZ-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.60
Rot. Bonds1

About 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial

2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial (PubChem CID 123827472) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial.

Molecular Properties

Compound Name2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial
PubChem CID123827472
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial
SMILESCC=c1cc[nH]c1=CC=S
InChIInChI=1S/C8H9NS/c1-2-7-3-5-9-8(7)4-6-10/h2-6,9H,1H3
InChIKeyAYIPDZIHBOHLEZ-UHFFFAOYSA-N
XLogP0.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium
CID 163940941
2,3-di(propan-2-ylidene)-1H-pyrrole
CID 57564401
(2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole
CID 87160329
(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1H-pyrrole
CID 88282069
(2E,3Z)-2,3-di(ethylidene)-1H-pyrrole
CID 88548453
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole
CID 88569995
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine
CID 89341111
4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-3H-1,3-thiazole-2-thione
CID 89435411
(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine
CID 90129114
3-(2-methylbut-2-enylidene)-2-methylidene-1H-pyrrole
CID 90699967
2,3-di(ethylidene)-1H-pyrrole
CID 90821154
(2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole
CID 118461686

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial?
The IUPAC name of 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial (CID 123827472) is 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial.
What is the SMILES notation for 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial?
The canonical SMILES for 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial is CC=c1cc[nH]c1=CC=S.
What is the InChIKey of 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial?
The InChIKey is AYIPDZIHBOHLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-7-3-5-9-8(7)4-6-10/h2-6,9H,1H3.
What are the key properties of 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial?
2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial has a molecular weight of 151.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial is sourced from PubChem (CID 123827472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).