5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole

C6H10N2S2 — CID 58663760

IUPAC5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole
SMILESCc1nc(SC(C)C)ns1
InChIInChI=1S/C6H10N2S2/c1-4(2)9-6-7-5(3)10-8-6/h4H,1-3H3
InChIKeyYLEMWJKATQGNGS-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.35
Rot. Bonds2

About 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole

5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole (PubChem CID 58663760) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole
PubChem CID58663760
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole
SMILESCc1nc(SC(C)C)ns1
InChIInChI=1S/C6H10N2S2/c1-4(2)9-6-7-5(3)10-8-6/h4H,1-3H3
InChIKeyYLEMWJKATQGNGS-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole (CID 58663760) is 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole is Cc1nc(SC(C)C)ns1.
What is the InChIKey of 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole?
The InChIKey is YLEMWJKATQGNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-4(2)9-6-7-5(3)10-8-6/h4H,1-3H3.
What are the key properties of 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole?
5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole has a molecular weight of 174.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 58663760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).