cyclohex-5-ene-1,2,4-tricarbothialdehyde

C9H10S3 — CID 57034876

IUPACcyclohex-5-ene-1,2,4-tricarbothialdehyde
SMILESS=CC1C=CC(C=S)C(C=S)C1
InChIInChI=1S/C9H10S3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-2,4-9H,3H2
InChIKeyFVTUJBRCZLXIMX-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.79
Rot. Bonds3

About cyclohex-5-ene-1,2,4-tricarbothialdehyde

cyclohex-5-ene-1,2,4-tricarbothialdehyde (PubChem CID 57034876) has the molecular formula C9H10S3 and a molecular weight of 214.38 g/mol. Its IUPAC name is cyclohex-5-ene-1,2,4-tricarbothialdehyde.

Molecular Properties

Compound Namecyclohex-5-ene-1,2,4-tricarbothialdehyde
PubChem CID57034876
Molecular FormulaC9H10S3
Molecular Weight214.38 g/mol
Exact Mass213.99
IUPAC Namecyclohex-5-ene-1,2,4-tricarbothialdehyde
SMILESS=CC1C=CC(C=S)C(C=S)C1
InChIInChI=1S/C9H10S3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-2,4-9H,3H2
InChIKeyFVTUJBRCZLXIMX-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohex-5-ene-1,2,4-tricarbothialdehyde with MolForge

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

Launch Full Analysis

Related Compounds

(Cyclohex-3-en-1-yl)methanethiol
CID 12299207
3-(b-Mercaptoethyl)cyclohexene
CID 14172617
3-Vinyl-1,2-dithiocyclohex-4-ene
CID 129724298
3-Vinyl-1,2-dithiocyclohex-5-ene
CID 129847992
Cyclohex-3-ene-1-carbothialdehyde
CID 19860513
3-Cyclohexa-2,4-dien-1-ylpropanethial
CID 54022306
3-(3,6-dihydrodithiin-3-yl)-3-(3-ethenyl-4H-dithiin-3-yl)-4H-dithiine
CID 87338688
Cyclohex-2-ene-1-carbothialdehyde
CID 88148544
(5-Methylcyclohex-3-en-1-yl)methanethiol
CID 88283606
6-(4-Sulfanylbutyl)cyclohex-3-ene-1-thiol
CID 118258690
1,4,4a,5,8,8a-Hexahydronaphthalene-1-thiol
CID 122497305
4-Propan-2-ylcyclohex-2-ene-1-thione
CID 123287486

Frequently Asked Questions

What is the IUPAC name of cyclohex-5-ene-1,2,4-tricarbothialdehyde?
The IUPAC name of cyclohex-5-ene-1,2,4-tricarbothialdehyde (CID 57034876) is cyclohex-5-ene-1,2,4-tricarbothialdehyde.
What is the SMILES notation for cyclohex-5-ene-1,2,4-tricarbothialdehyde?
The canonical SMILES for cyclohex-5-ene-1,2,4-tricarbothialdehyde is S=CC1C=CC(C=S)C(C=S)C1.
What is the InChIKey of cyclohex-5-ene-1,2,4-tricarbothialdehyde?
The InChIKey is FVTUJBRCZLXIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-2,4-9H,3H2.
What are the key properties of cyclohex-5-ene-1,2,4-tricarbothialdehyde?
cyclohex-5-ene-1,2,4-tricarbothialdehyde has a molecular weight of 214.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-5-ene-1,2,4-tricarbothialdehyde is sourced from PubChem (CID 57034876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).