3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane

C5H10S7 — CID 146197995

IUPAC3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane
SMILESSSCSC(SS)SC1CSC1
InChIInChI=1S/C5H10S7/c6-10-3-9-5(12-7)11-4-1-8-2-4/h4-7H,1-3H2
InChIKeyXKBVKZQOEWHSSG-UHFFFAOYSA-N
MW294.60 g/mol
LogP3.97
Rot. Bonds6

About 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane

3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane (PubChem CID 146197995) has the molecular formula C5H10S7 and a molecular weight of 294.60 g/mol. Its IUPAC name is 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane.

Molecular Properties

Compound Name3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane
PubChem CID146197995
Molecular FormulaC5H10S7
Molecular Weight294.60 g/mol
Exact Mass293.88
IUPAC Name3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane
SMILESSSCSC(SS)SC1CSC1
InChIInChI=1S/C5H10S7/c6-10-3-9-5(12-7)11-4-1-8-2-4/h4-7H,1-3H2
InChIKeyXKBVKZQOEWHSSG-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', '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 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane?
The IUPAC name of 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane (CID 146197995) is 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane.
What is the SMILES notation for 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane?
The canonical SMILES for 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane is SSCSC(SS)SC1CSC1.
What is the InChIKey of 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane?
The InChIKey is XKBVKZQOEWHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S7/c6-10-3-9-5(12-7)11-4-1-8-2-4/h4-7H,1-3H2.
What are the key properties of 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane?
3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane has a molecular weight of 294.60 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane is sourced from PubChem (CID 146197995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).