6-methylpentathiane

C2H4S5 — CID 6428809

IUPAC6-methylpentathiane
SMILESCC1SSSSS1
InChIInChI=1S/C2H4S5/c1-2-3-5-7-6-4-2/h2H,1H3
InChIKeyWRSINPAGMZEMOU-UHFFFAOYSA-N
MW188.39 g/mol
LogP3.67
Rot. Bonds

About 6-methylpentathiane

6-methylpentathiane (PubChem CID 6428809) has the molecular formula C2H4S5 and a molecular weight of 188.39 g/mol. Its IUPAC name is 6-methylpentathiane.

Molecular Properties

Compound Name6-methylpentathiane
PubChem CID6428809
Molecular FormulaC2H4S5
Molecular Weight188.39 g/mol
Exact Mass187.89
IUPAC Name6-methylpentathiane
SMILESCC1SSSSS1
InChIInChI=1S/C2H4S5/c1-2-3-5-7-6-4-2/h2H,1H3
InChIKeyWRSINPAGMZEMOU-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylpentathiane?
The IUPAC name of 6-methylpentathiane (CID 6428809) is 6-methylpentathiane.
What is the SMILES notation for 6-methylpentathiane?
The canonical SMILES for 6-methylpentathiane is CC1SSSSS1.
What is the InChIKey of 6-methylpentathiane?
The InChIKey is WRSINPAGMZEMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S5/c1-2-3-5-7-6-4-2/h2H,1H3.
What are the key properties of 6-methylpentathiane?
6-methylpentathiane has a molecular weight of 188.39 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpentathiane is sourced from PubChem (CID 6428809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).