3-ethylsulfinyl-1,2,4-thiadiazol-5-amine

C4H7N3OS2 — CID 119095848

IUPAC3-ethylsulfinyl-1,2,4-thiadiazol-5-amine
SMILESCCS(=O)c1nsc(N)n1
InChIInChI=1S/C4H7N3OS2/c1-2-10(8)4-6-3(5)9-7-4/h2H2,1H3,(H2,5,6,7)
InChIKeyWSBXHTWTXCPRIO-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.25
Rot. Bonds2

About 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine

3-ethylsulfinyl-1,2,4-thiadiazol-5-amine (PubChem CID 119095848) has the molecular formula C4H7N3OS2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-1,2,4-thiadiazol-5-amine
PubChem CID119095848
Molecular FormulaC4H7N3OS2
Molecular Weight177.25 g/mol
Exact Mass177.00
IUPAC Name3-ethylsulfinyl-1,2,4-thiadiazol-5-amine
SMILESCCS(=O)c1nsc(N)n1
InChIInChI=1S/C4H7N3OS2/c1-2-10(8)4-6-3(5)9-7-4/h2H2,1H3,(H2,5,6,7)
InChIKeyWSBXHTWTXCPRIO-UHFFFAOYSA-N
XLogP0.25
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine (CID 119095848) is 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine is CCS(=O)c1nsc(N)n1.
What is the InChIKey of 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WSBXHTWTXCPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS2/c1-2-10(8)4-6-3(5)9-7-4/h2H2,1H3,(H2,5,6,7).
What are the key properties of 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine?
3-ethylsulfinyl-1,2,4-thiadiazol-5-amine has a molecular weight of 177.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 119095848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).