1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol

C5H12S4 — CID 19360930

IUPAC1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol
SMILESSCCCSC(S)CS
InChIInChI=1S/C5H12S4/c6-2-1-3-9-5(8)4-7/h5-8H,1-4H2
InChIKeyZORKMQDPZAQPRR-UHFFFAOYSA-N
MW200.42 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol

1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol (PubChem CID 19360930) has the molecular formula C5H12S4 and a molecular weight of 200.42 g/mol. Its IUPAC name is 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol.

Molecular Properties

Compound Name1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol
PubChem CID19360930
Molecular FormulaC5H12S4
Molecular Weight200.42 g/mol
Exact Mass199.98
IUPAC Name1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol
SMILESSCCCSC(S)CS
InChIInChI=1S/C5H12S4/c6-2-1-3-9-5(8)4-7/h5-8H,1-4H2
InChIKeyZORKMQDPZAQPRR-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol?
The IUPAC name of 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol (CID 19360930) is 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol.
What is the SMILES notation for 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol?
The canonical SMILES for 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol is SCCCSC(S)CS.
What is the InChIKey of 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol?
The InChIKey is ZORKMQDPZAQPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S4/c6-2-1-3-9-5(8)4-7/h5-8H,1-4H2.
What are the key properties of 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol?
1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol has a molecular weight of 200.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-sulfanylpropylsulfanyl)ethane-1,2-dithiol is sourced from PubChem (CID 19360930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).