5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole

C4H5IN2S2 — CID 102618472

IUPAC5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole
SMILESCSCc1nsc(I)n1
InChIInChI=1S/C4H5IN2S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3
InChIKeyBFJZCXGNMWZPBD-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.01
Rot. Bonds2

About 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole

5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole (PubChem CID 102618472) has the molecular formula C4H5IN2S2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole
PubChem CID102618472
Molecular FormulaC4H5IN2S2
Molecular Weight272.14 g/mol
Exact Mass271.89
IUPAC Name5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole
SMILESCSCc1nsc(I)n1
InChIInChI=1S/C4H5IN2S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3
InChIKeyBFJZCXGNMWZPBD-UHFFFAOYSA-N
XLogP2.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole (CID 102618472) is 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole is CSCc1nsc(I)n1.
What is the InChIKey of 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
The InChIKey is BFJZCXGNMWZPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3.
What are the key properties of 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole has a molecular weight of 272.14 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(methylsulfanylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).