3H-oxathiazole;thiadiazole

C4H5N3OS2 — CID 19911240

IUPAC3H-oxathiazole;thiadiazole
SMILESC1=COSN1.c1csnn1
InChIInChI=1S/C2H2N2S.C2H3NOS/c1-2-5-4-3-1;1-2-4-5-3-1/h1-2H;1-3H
InChIKeyJFHWIYCSAKHSBY-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.18
Rot. Bonds

About 3H-oxathiazole;thiadiazole

3H-oxathiazole;thiadiazole (PubChem CID 19911240) has the molecular formula C4H5N3OS2 and a molecular weight of 175.24 g/mol. Its IUPAC name is 3H-oxathiazole;thiadiazole.

Molecular Properties

Compound Name3H-oxathiazole;thiadiazole
PubChem CID19911240
Molecular FormulaC4H5N3OS2
Molecular Weight175.24 g/mol
Exact Mass174.99
IUPAC Name3H-oxathiazole;thiadiazole
SMILESC1=COSN1.c1csnn1
InChIInChI=1S/C2H2N2S.C2H3NOS/c1-2-5-4-3-1;1-2-4-5-3-1/h1-2H;1-3H
InChIKeyJFHWIYCSAKHSBY-UHFFFAOYSA-N
XLogP1.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3H-oxathiazole;thiadiazole?
The IUPAC name of 3H-oxathiazole;thiadiazole (CID 19911240) is 3H-oxathiazole;thiadiazole.
What is the SMILES notation for 3H-oxathiazole;thiadiazole?
The canonical SMILES for 3H-oxathiazole;thiadiazole is C1=COSN1.c1csnn1.
What is the InChIKey of 3H-oxathiazole;thiadiazole?
The InChIKey is JFHWIYCSAKHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S.C2H3NOS/c1-2-5-4-3-1;1-2-4-5-3-1/h1-2H;1-3H.
What are the key properties of 3H-oxathiazole;thiadiazole?
3H-oxathiazole;thiadiazole has a molecular weight of 175.24 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-oxathiazole;thiadiazole is sourced from PubChem (CID 19911240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).