2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol

C10H20S4Se — CID 18760650

IUPAC2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol
SMILESSCCSCC1CCC(SCCS)C[Se]1
InChIInChI=1S/C10H20S4Se/c11-3-5-13-7-10-2-1-9(8-15-10)14-6-4-12/h9-12H,1-8H2
InChIKeyVCMQHZSGHYRFFH-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.39
Rot. Bonds7

About 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol

2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol (PubChem CID 18760650) has the molecular formula C10H20S4Se and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol
PubChem CID18760650
Molecular FormulaC10H20S4Se
Molecular Weight347.50 g/mol
Exact Mass347.96
IUPAC Name2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol
SMILESSCCSCC1CCC(SCCS)C[Se]1
InChIInChI=1S/C10H20S4Se/c11-3-5-13-7-10-2-1-9(8-15-10)14-6-4-12/h9-12H,1-8H2
InChIKeyVCMQHZSGHYRFFH-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol?
The IUPAC name of 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol (CID 18760650) is 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol?
The canonical SMILES for 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol is SCCSCC1CCC(SCCS)C[Se]1.
What is the InChIKey of 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol?
The InChIKey is VCMQHZSGHYRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S4Se/c11-3-5-13-7-10-2-1-9(8-15-10)14-6-4-12/h9-12H,1-8H2.
What are the key properties of 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol?
2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol has a molecular weight of 347.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-sulfanylethylsulfanyl)selenan-2-yl]methylsulfanyl]ethanethiol is sourced from PubChem (CID 18760650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).