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

C6H10N2OS2 — CID 163948057

IUPAC3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole
SMILESCc1nsc(S(=O)C(C)C)n1
InChIInChI=1S/C6H10N2OS2/c1-4(2)11(9)6-7-5(3)8-10-6/h4H,1-3H3
InChIKeyRWWXEOPRKOCFSG-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.36
Rot. Bonds2

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

3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole (PubChem CID 163948057) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole
PubChem CID163948057
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole
SMILESCc1nsc(S(=O)C(C)C)n1
InChIInChI=1S/C6H10N2OS2/c1-4(2)11(9)6-7-5(3)8-10-6/h4H,1-3H3
InChIKeyRWWXEOPRKOCFSG-UHFFFAOYSA-N
XLogP1.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole (CID 163948057) is 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole is Cc1nsc(S(=O)C(C)C)n1.
What is the InChIKey of 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole?
The InChIKey is RWWXEOPRKOCFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-4(2)11(9)6-7-5(3)8-10-6/h4H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole?
3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole has a molecular weight of 190.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-ylsulfinyl-1,2,4-thiadiazole is sourced from PubChem (CID 163948057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).