4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione

C9H6S4 — CID 12601876

IUPAC4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione
SMILESS=c1scc(/C=C/c2cccs2)s1
InChIInChI=1S/C9H6S4/c10-9-12-6-8(13-9)4-3-7-2-1-5-11-7/h1-6H/b4-3+
InChIKeyIPLQUNYMMHJVGL-ONEGZZNKSA-N
MW242.42 g/mol
LogP4.77
Rot. Bonds2

About 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione

4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione (PubChem CID 12601876) has the molecular formula C9H6S4 and a molecular weight of 242.42 g/mol. Its IUPAC name is 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione.

Molecular Properties

Compound Name4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione
PubChem CID12601876
Molecular FormulaC9H6S4
Molecular Weight242.42 g/mol
Exact Mass241.94
IUPAC Name4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione
SMILESS=c1scc(/C=C/c2cccs2)s1
InChIInChI=1S/C9H6S4/c10-9-12-6-8(13-9)4-3-7-2-1-5-11-7/h1-6H/b4-3+
InChIKeyIPLQUNYMMHJVGL-ONEGZZNKSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-thiophen-2-ylethenol
CID 89297537
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746
4-thiophen-2-yl-1,3-dithiole-2-thione
CID 12650086
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
2-[(E)-2-(4-fluorophenyl)ethenyl]thiophene
CID 101247141
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione?
The IUPAC name of 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione (CID 12601876) is 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione.
What is the SMILES notation for 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione?
The canonical SMILES for 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione is S=c1scc(/C=C/c2cccs2)s1.
What is the InChIKey of 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione?
The InChIKey is IPLQUNYMMHJVGL-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H6S4/c10-9-12-6-8(13-9)4-3-7-2-1-5-11-7/h1-6H/b4-3+.
What are the key properties of 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione?
4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione has a molecular weight of 242.42 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione is sourced from PubChem (CID 12601876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).