CID 161045660

C3H16S6 — CID 161045660

IUPAC—
SMILESC.CC.SS.SS.SS
InChIInChI=1S/C2H6.CH4.3H2S2/c1-2;;3*1-2/h1-2H3;1H4;3*1-2H
InChIKeyUBLUODQKZLWZJA-UHFFFAOYSA-N
MW244.56 g/mol
LogP3.95
Rot. Bonds

About CID 161045660

CID 161045660 (PubChem CID 161045660) has the molecular formula C3H16S6 and a molecular weight of 244.56 g/mol.

Molecular Properties

Compound NameCID 161045660
PubChem CID161045660
Molecular FormulaC3H16S6
Molecular Weight244.56 g/mol
Exact Mass243.96
IUPAC Name—
SMILESC.CC.SS.SS.SS
InChIInChI=1S/C2H6.CH4.3H2S2/c1-2;;3*1-2/h1-2H3;1H4;3*1-2H
InChIKeyUBLUODQKZLWZJA-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.56
LogP ≤ 53.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161045660?
The IUPAC name of CID 161045660 (CID 161045660) is not available.
What is the SMILES notation for CID 161045660?
The canonical SMILES for CID 161045660 is C.CC.SS.SS.SS.
What is the InChIKey of CID 161045660?
The InChIKey is UBLUODQKZLWZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH4.3H2S2/c1-2;;3*1-2/h1-2H3;1H4;3*1-2H.
What are the key properties of CID 161045660?
CID 161045660 has a molecular weight of 244.56 g/mol, XLogP of 3.95, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161045660 is sourced from PubChem (CID 161045660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).