(2Z)-2-(dithiol-3-ylidene)ethanethial

C5H4S3 — CID 135051551

IUPAC(2Z)-2-(dithiol-3-ylidene)ethanethial
SMILESS=C/C=C1/C=CSS1
InChIInChI=1S/C5H4S3/c6-3-1-5-2-4-7-8-5/h1-4H/b5-1-
InChIKeyLIQCGHAROOKOLZ-KTAJNNJTSA-N
MW160.29 g/mol
LogP2.78
Rot. Bonds1

About (2Z)-2-(dithiol-3-ylidene)ethanethial

(2Z)-2-(dithiol-3-ylidene)ethanethial (PubChem CID 135051551) has the molecular formula C5H4S3 and a molecular weight of 160.29 g/mol. Its IUPAC name is (2Z)-2-(dithiol-3-ylidene)ethanethial.

Molecular Properties

Compound Name(2Z)-2-(dithiol-3-ylidene)ethanethial
PubChem CID135051551
Molecular FormulaC5H4S3
Molecular Weight160.29 g/mol
Exact Mass159.95
IUPAC Name(2Z)-2-(dithiol-3-ylidene)ethanethial
SMILESS=C/C=C1/C=CSS1
InChIInChI=1S/C5H4S3/c6-3-1-5-2-4-7-8-5/h1-4H/b5-1-
InChIKeyLIQCGHAROOKOLZ-KTAJNNJTSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2H-Thiopyran-2-thione
CID 12617527
Vinyldithiin
CID 10219489
Dithiepine
CID 54546809
Bis(5-thioxopenta-1,3-dien-1-yl) sulfide
CID 129771174
3-Deuterodithiepin
CID 129815367
(2Z)-penta-2,4-dienethial
CID 12798941
3-Methylidenedithiole
CID 22731659
2-Methanidylidenethiophen-1-ium
CID 59909649
1,2,3,4,5,6-Hexathiacyclododeca-7,9,11-triene
CID 68501149
2-sulfanylidene-3H-dithiepine
CID 70250094
1-sulfanylidene-3H-dithiepine
CID 70250095
3-Ethylidenedithiole
CID 73828576

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(dithiol-3-ylidene)ethanethial?
The IUPAC name of (2Z)-2-(dithiol-3-ylidene)ethanethial (CID 135051551) is (2Z)-2-(dithiol-3-ylidene)ethanethial.
What is the SMILES notation for (2Z)-2-(dithiol-3-ylidene)ethanethial?
The canonical SMILES for (2Z)-2-(dithiol-3-ylidene)ethanethial is S=C/C=C1/C=CSS1.
What is the InChIKey of (2Z)-2-(dithiol-3-ylidene)ethanethial?
The InChIKey is LIQCGHAROOKOLZ-KTAJNNJTSA-N. The full InChI is InChI=1S/C5H4S3/c6-3-1-5-2-4-7-8-5/h1-4H/b5-1-.
What are the key properties of (2Z)-2-(dithiol-3-ylidene)ethanethial?
(2Z)-2-(dithiol-3-ylidene)ethanethial has a molecular weight of 160.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(dithiol-3-ylidene)ethanethial is sourced from PubChem (CID 135051551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).