2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole

C5H8N2OS3 — CID 22889812

IUPAC2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCOCSc1nnc(SC)s1
InChIInChI=1S/C5H8N2OS3/c1-8-3-10-5-7-6-4(9-2)11-5/h3H2,1-2H3
InChIKeyZUHNPMLHICECQT-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.96
Rot. Bonds4

About 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole

2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 22889812) has the molecular formula C5H8N2OS3 and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID22889812
Molecular FormulaC5H8N2OS3
Molecular Weight208.33 g/mol
Exact Mass207.98
IUPAC Name2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCOCSc1nnc(SC)s1
InChIInChI=1S/C5H8N2OS3/c1-8-3-10-5-7-6-4(9-2)11-5/h3H2,1-2H3
InChIKeyZUHNPMLHICECQT-UHFFFAOYSA-N
XLogP1.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.96
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 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 22889812) is 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole is COCSc1nnc(SC)s1.
What is the InChIKey of 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is ZUHNPMLHICECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS3/c1-8-3-10-5-7-6-4(9-2)11-5/h3H2,1-2H3.
What are the key properties of 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 208.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 22889812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).