1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol

C4H10S5 — CID 11413324

IUPAC1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol
SMILESSCC(S)SC(S)CS
InChIInChI=1S/C4H10S5/c5-1-3(7)9-4(8)2-6/h3-8H,1-2H2
InChIKeyCEECCWHFMVXTBM-UHFFFAOYSA-N
MW218.46 g/mol
LogP2.09
Rot. Bonds4

About 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol

1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol (PubChem CID 11413324) has the molecular formula C4H10S5 and a molecular weight of 218.46 g/mol. Its IUPAC name is 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol.

Molecular Properties

Compound Name1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol
PubChem CID11413324
Molecular FormulaC4H10S5
Molecular Weight218.46 g/mol
Exact Mass217.94
IUPAC Name1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol
SMILESSCC(S)SC(S)CS
InChIInChI=1S/C4H10S5/c5-1-3(7)9-4(8)2-6/h3-8H,1-2H2
InChIKeyCEECCWHFMVXTBM-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.46
LogP ≤ 52.09
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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol?
The IUPAC name of 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol (CID 11413324) is 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol.
What is the SMILES notation for 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol?
The canonical SMILES for 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol is SCC(S)SC(S)CS.
What is the InChIKey of 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol?
The InChIKey is CEECCWHFMVXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S5/c5-1-3(7)9-4(8)2-6/h3-8H,1-2H2.
What are the key properties of 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol?
1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol has a molecular weight of 218.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol is sourced from PubChem (CID 11413324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).