(2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial

C8H9NS — CID 144818282

IUPAC(2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial
SMILESC/C=c1/cc[nH]/c1=C/C=S
InChIInChI=1S/C8H9NS/c1-2-7-3-5-9-8(7)4-6-10/h2-6,9H,1H3/b7-2-,8-4+
InChIKeyAYIPDZIHBOHLEZ-GQOUTJHLSA-N
MW151.23 g/mol
LogP0.60
Rot. Bonds1

About (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial

(2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial (PubChem CID 144818282) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial.

Molecular Properties

Compound Name(2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial
PubChem CID144818282
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial
SMILESC/C=c1/cc[nH]/c1=C/C=S
InChIInChI=1S/C8H9NS/c1-2-7-3-5-9-8(7)4-6-10/h2-6,9H,1H3/b7-2-,8-4+
InChIKeyAYIPDZIHBOHLEZ-GQOUTJHLSA-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'}

Analyze (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial?
The IUPAC name of (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial (CID 144818282) is (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial.
What is the SMILES notation for (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial?
The canonical SMILES for (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial is C/C=c1/cc[nH]/c1=C/C=S.
What is the InChIKey of (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial?
The InChIKey is AYIPDZIHBOHLEZ-GQOUTJHLSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-7-3-5-9-8(7)4-6-10/h2-6,9H,1H3/b7-2-,8-4+.
What are the key properties of (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial?
(2E)-2-[(3Z)-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 (2E)-2-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]ethanethial is sourced from PubChem (CID 144818282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).