4-methyl-5-(methylsulfanylmethyl)thiadiazole

C5H8N2S2 — CID 58773018

IUPAC4-methyl-5-(methylsulfanylmethyl)thiadiazole
SMILESCSCc1snnc1C
InChIInChI=1S/C5H8N2S2/c1-4-5(3-8-2)9-7-6-4/h3H2,1-2H3
InChIKeyRKXCRBIKBOGQOK-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.71
Rot. Bonds2

About 4-methyl-5-(methylsulfanylmethyl)thiadiazole

4-methyl-5-(methylsulfanylmethyl)thiadiazole (PubChem CID 58773018) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 4-methyl-5-(methylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(methylsulfanylmethyl)thiadiazole
PubChem CID58773018
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name4-methyl-5-(methylsulfanylmethyl)thiadiazole
SMILESCSCc1snnc1C
InChIInChI=1S/C5H8N2S2/c1-4-5(3-8-2)9-7-6-4/h3H2,1-2H3
InChIKeyRKXCRBIKBOGQOK-UHFFFAOYSA-N
XLogP1.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylsulfanylmethyl)thiadiazole?
The IUPAC name of 4-methyl-5-(methylsulfanylmethyl)thiadiazole (CID 58773018) is 4-methyl-5-(methylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(methylsulfanylmethyl)thiadiazole?
The canonical SMILES for 4-methyl-5-(methylsulfanylmethyl)thiadiazole is CSCc1snnc1C.
What is the InChIKey of 4-methyl-5-(methylsulfanylmethyl)thiadiazole?
The InChIKey is RKXCRBIKBOGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-4-5(3-8-2)9-7-6-4/h3H2,1-2H3.
What are the key properties of 4-methyl-5-(methylsulfanylmethyl)thiadiazole?
4-methyl-5-(methylsulfanylmethyl)thiadiazole has a molecular weight of 160.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 58773018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).