1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol

C6H10S5 — CID 87210798

IUPAC1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol
SMILESC=CC(S)(S)SC(S)(S)C=C
InChIInChI=1S/C6H10S5/c1-3-5(7,8)11-6(9,10)4-2/h3-4,7-10H,1-2H2
InChIKeyLAKFWCMHCAMKTJ-UHFFFAOYSA-N
MW242.48 g/mol
LogP3.12
Rot. Bonds4

About 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol

1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol (PubChem CID 87210798) has the molecular formula C6H10S5 and a molecular weight of 242.48 g/mol. Its IUPAC name is 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol.

Molecular Properties

Compound Name1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol
PubChem CID87210798
Molecular FormulaC6H10S5
Molecular Weight242.48 g/mol
Exact Mass241.94
IUPAC Name1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol
SMILESC=CC(S)(S)SC(S)(S)C=C
InChIInChI=1S/C6H10S5/c1-3-5(7,8)11-6(9,10)4-2/h3-4,7-10H,1-2H2
InChIKeyLAKFWCMHCAMKTJ-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol 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 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol?
The IUPAC name of 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol (CID 87210798) is 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol.
What is the SMILES notation for 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol?
The canonical SMILES for 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol is C=CC(S)(S)SC(S)(S)C=C.
What is the InChIKey of 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol?
The InChIKey is LAKFWCMHCAMKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S5/c1-3-5(7,8)11-6(9,10)4-2/h3-4,7-10H,1-2H2.
What are the key properties of 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol?
1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol has a molecular weight of 242.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(sulfanyl)prop-2-enylsulfanyl]prop-2-ene-1,1-dithiol is sourced from PubChem (CID 87210798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).