2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid

C4H4N2O3S2 — CID 23335779

IUPAC2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)c1nncs1
InChIInChI=1S/C4H4N2O3S2/c7-3(8)1-11(9)4-6-5-2-10-4/h2H,1H2,(H,7,8)
InChIKeyODTZKACFATWALZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.27
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid

2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid (PubChem CID 23335779) has the molecular formula C4H4N2O3S2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid
PubChem CID23335779
Molecular FormulaC4H4N2O3S2
Molecular Weight192.22 g/mol
Exact Mass191.97
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)c1nncs1
InChIInChI=1S/C4H4N2O3S2/c7-3(8)1-11(9)4-6-5-2-10-4/h2H,1H2,(H,7,8)
InChIKeyODTZKACFATWALZ-UHFFFAOYSA-N
XLogP-0.27
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid (CID 23335779) is 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid is O=C(O)CS(=O)c1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid?
The InChIKey is ODTZKACFATWALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3S2/c7-3(8)1-11(9)4-6-5-2-10-4/h2H,1H2,(H,7,8).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid?
2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid has a molecular weight of 192.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfinyl)acetic acid is sourced from PubChem (CID 23335779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).