4-methyl-2-sulfanylidenetrithiane

C4H8S4 — CID 126487751

IUPAC4-methyl-2-sulfanylidenetrithiane
SMILESCC1CCSS(=S)S1
InChIInChI=1S/C4H8S4/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
InChIKeyVGRYZNRQUWDEKR-UHFFFAOYSA-N
MW184.38 g/mol
LogP2.16
Rot. Bonds

About 4-methyl-2-sulfanylidenetrithiane

4-methyl-2-sulfanylidenetrithiane (PubChem CID 126487751) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 4-methyl-2-sulfanylidenetrithiane.

Molecular Properties

Compound Name4-methyl-2-sulfanylidenetrithiane
PubChem CID126487751
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name4-methyl-2-sulfanylidenetrithiane
SMILESCC1CCSS(=S)S1
InChIInChI=1S/C4H8S4/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
InChIKeyVGRYZNRQUWDEKR-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-sulfanylidenetrithiane?
The IUPAC name of 4-methyl-2-sulfanylidenetrithiane (CID 126487751) is 4-methyl-2-sulfanylidenetrithiane.
What is the SMILES notation for 4-methyl-2-sulfanylidenetrithiane?
The canonical SMILES for 4-methyl-2-sulfanylidenetrithiane is CC1CCSS(=S)S1.
What is the InChIKey of 4-methyl-2-sulfanylidenetrithiane?
The InChIKey is VGRYZNRQUWDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-2-sulfanylidenetrithiane?
4-methyl-2-sulfanylidenetrithiane has a molecular weight of 184.38 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-sulfanylidenetrithiane is sourced from PubChem (CID 126487751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).