2-methyl-5-methylsulfanyl-1,3,4-thiadiazole

C4H6N2S2 — CID 11029979

IUPAC2-methyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(C)s1
InChIInChI=1S/C4H6N2S2/c1-3-5-6-4(7-2)8-3/h1-2H3
InChIKeyNEKCOKJRDOPRSK-UHFFFAOYSA-N
MW146.24 g/mol
LogP1.57
Rot. Bonds1

About 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole

2-methyl-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 11029979) has the molecular formula C4H6N2S2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID11029979
Molecular FormulaC4H6N2S2
Molecular Weight146.24 g/mol
Exact Mass146.00
IUPAC Name2-methyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(C)s1
InChIInChI=1S/C4H6N2S2/c1-3-5-6-4(7-2)8-3/h1-2H3
InChIKeyNEKCOKJRDOPRSK-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole (CID 11029979) is 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(C)s1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is NEKCOKJRDOPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2/c1-3-5-6-4(7-2)8-3/h1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole?
2-methyl-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 146.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 11029979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).