[5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol

C5H10S6 — CID 23503960

IUPAC[5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol
SMILESSCSC1SCSC1SCS
InChIInChI=1S/C5H10S6/c6-1-8-4-5(9-2-7)11-3-10-4/h4-7H,1-3H2
InChIKeyQKCHHMHTFRITHV-UHFFFAOYSA-N
MW262.54 g/mol
LogP3.32
Rot. Bonds4

About [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol

[5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol (PubChem CID 23503960) has the molecular formula C5H10S6 and a molecular weight of 262.54 g/mol. Its IUPAC name is [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol.

Molecular Properties

Compound Name[5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol
PubChem CID23503960
Molecular FormulaC5H10S6
Molecular Weight262.54 g/mol
Exact Mass261.91
IUPAC Name[5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol
SMILESSCSC1SCSC1SCS
InChIInChI=1S/C5H10S6/c6-1-8-4-5(9-2-7)11-3-10-4/h4-7H,1-3H2
InChIKeyQKCHHMHTFRITHV-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
The IUPAC name of [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol (CID 23503960) is [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol.
What is the SMILES notation for [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
The canonical SMILES for [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol is SCSC1SCSC1SCS.
What is the InChIKey of [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
The InChIKey is QKCHHMHTFRITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S6/c6-1-8-4-5(9-2-7)11-3-10-4/h4-7H,1-3H2.
What are the key properties of [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
[5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol has a molecular weight of 262.54 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol is sourced from PubChem (CID 23503960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).