dithiepane;bis((methyldisulfanyl)methane);propane

C12H30S6 — CID 157061520

IUPACdithiepane;bis((methyldisulfanyl)methane);propane
SMILESC1CCSSCC1.CCC.CSSC.CSSC
InChIInChI=1S/C5H10S2.C3H8.2C2H6S2/c1-2-4-6-7-5-3-1;1-3-2;2*1-3-4-2/h1-5H2;3H2,1-2H3;2*1-2H3
InChIKeyABJSEWZOHYYTGD-UHFFFAOYSA-N
MW366.77 g/mol
LogP7.22
Rot. Bonds2

About dithiepane;bis((methyldisulfanyl)methane);propane

dithiepane;bis((methyldisulfanyl)methane);propane (PubChem CID 157061520) has the molecular formula C12H30S6 and a molecular weight of 366.77 g/mol. Its IUPAC name is dithiepane;bis((methyldisulfanyl)methane);propane.

Molecular Properties

Compound Namedithiepane;bis((methyldisulfanyl)methane);propane
PubChem CID157061520
Molecular FormulaC12H30S6
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Namedithiepane;bis((methyldisulfanyl)methane);propane
SMILESC1CCSSCC1.CCC.CSSC.CSSC
InChIInChI=1S/C5H10S2.C3H8.2C2H6S2/c1-2-4-6-7-5-3-1;1-3-2;2*1-3-4-2/h1-5H2;3H2,1-2H3;2*1-2H3
InChIKeyABJSEWZOHYYTGD-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.77
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

dithiane;ethane
CID 87555342
propane;thietane
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cycloheptane;ethane;propane
CID 142095328
cyclobutane;ethane;propane
CID 142065255
cyclopropane;methane;propane
CID 162181556
bis(cyclohexane);ethane;propane
CID 91197261
bis(cyclohexane);ethane;propane
CID 160925836
tris(cyclohexane);ethane;propane
CID 161084167
cyclohexane;ethane;methane;propane
CID 161168070
cyclopropane;ethene;propane
CID 145063751
ethanol;thiane
CID 69498055

Frequently Asked Questions

What is the IUPAC name of dithiepane;bis((methyldisulfanyl)methane);propane?
The IUPAC name of dithiepane;bis((methyldisulfanyl)methane);propane (CID 157061520) is dithiepane;bis((methyldisulfanyl)methane);propane.
What is the SMILES notation for dithiepane;bis((methyldisulfanyl)methane);propane?
The canonical SMILES for dithiepane;bis((methyldisulfanyl)methane);propane is C1CCSSCC1.CCC.CSSC.CSSC.
What is the InChIKey of dithiepane;bis((methyldisulfanyl)methane);propane?
The InChIKey is ABJSEWZOHYYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2.C3H8.2C2H6S2/c1-2-4-6-7-5-3-1;1-3-2;2*1-3-4-2/h1-5H2;3H2,1-2H3;2*1-2H3.
What are the key properties of dithiepane;bis((methyldisulfanyl)methane);propane?
dithiepane;bis((methyldisulfanyl)methane);propane has a molecular weight of 366.77 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dithiepane;bis((methyldisulfanyl)methane);propane is sourced from PubChem (CID 157061520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).