1,1,1,2,2,2-hexakis(methylsulfanyl)ethane

C8H18S6 — CID 22765408

IUPAC1,1,1,2,2,2-hexakis(methylsulfanyl)ethane
SMILESCSC(SC)(SC)C(SC)(SC)SC
InChIInChI=1S/C8H18S6/c1-9-7(10-2,11-3)8(12-4,13-5)14-6/h1-6H3
InChIKeyDYRQMMASBFTLSU-UHFFFAOYSA-N
MW306.63 g/mol
LogP4.47
Rot. Bonds7

About 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane

1,1,1,2,2,2-hexakis(methylsulfanyl)ethane (PubChem CID 22765408) has the molecular formula C8H18S6 and a molecular weight of 306.63 g/mol. Its IUPAC name is 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane.

Molecular Properties

Compound Name1,1,1,2,2,2-hexakis(methylsulfanyl)ethane
PubChem CID22765408
Molecular FormulaC8H18S6
Molecular Weight306.63 g/mol
Exact Mass305.97
IUPAC Name1,1,1,2,2,2-hexakis(methylsulfanyl)ethane
SMILESCSC(SC)(SC)C(SC)(SC)SC
InChIInChI=1S/C8H18S6/c1-9-7(10-2,11-3)8(12-4,13-5)14-6/h1-6H3
InChIKeyDYRQMMASBFTLSU-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane?
The IUPAC name of 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane (CID 22765408) is 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane.
What is the SMILES notation for 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane?
The canonical SMILES for 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane is CSC(SC)(SC)C(SC)(SC)SC.
What is the InChIKey of 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane?
The InChIKey is DYRQMMASBFTLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S6/c1-9-7(10-2,11-3)8(12-4,13-5)14-6/h1-6H3.
What are the key properties of 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane?
1,1,1,2,2,2-hexakis(methylsulfanyl)ethane has a molecular weight of 306.63 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,2-hexakis(methylsulfanyl)ethane is sourced from PubChem (CID 22765408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).