3-methyl-1,2,4,5-tetrathiane

C3H6S4 — CID 91753203

IUPAC3-methyl-1,2,4,5-tetrathiane
SMILESCC1SSCSS1
InChIInChI=1S/C3H6S4/c1-3-6-4-2-5-7-3/h3H,2H2,1H3
InChIKeyVWHXUHVCDBTZGT-UHFFFAOYSA-N
MW170.35 g/mol
LogP3.07
Rot. Bonds

About 3-methyl-1,2,4,5-tetrathiane

3-methyl-1,2,4,5-tetrathiane (PubChem CID 91753203) has the molecular formula C3H6S4 and a molecular weight of 170.35 g/mol. Its IUPAC name is 3-methyl-1,2,4,5-tetrathiane.

Molecular Properties

Compound Name3-methyl-1,2,4,5-tetrathiane
PubChem CID91753203
Molecular FormulaC3H6S4
Molecular Weight170.35 g/mol
Exact Mass169.94
IUPAC Name3-methyl-1,2,4,5-tetrathiane
SMILESCC1SSCSS1
InChIInChI=1S/C3H6S4/c1-3-6-4-2-5-7-3/h3H,2H2,1H3
InChIKeyVWHXUHVCDBTZGT-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4,5-tetrathiane?
The IUPAC name of 3-methyl-1,2,4,5-tetrathiane (CID 91753203) is 3-methyl-1,2,4,5-tetrathiane.
What is the SMILES notation for 3-methyl-1,2,4,5-tetrathiane?
The canonical SMILES for 3-methyl-1,2,4,5-tetrathiane is CC1SSCSS1.
What is the InChIKey of 3-methyl-1,2,4,5-tetrathiane?
The InChIKey is VWHXUHVCDBTZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S4/c1-3-6-4-2-5-7-3/h3H,2H2,1H3.
What are the key properties of 3-methyl-1,2,4,5-tetrathiane?
3-methyl-1,2,4,5-tetrathiane has a molecular weight of 170.35 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4,5-tetrathiane is sourced from PubChem (CID 91753203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).