1,2,3-benzothiadiazol-7-ol

C6H4N2OS — CID 83680193

IUPAC1,2,3-benzothiadiazol-7-ol
SMILESOc1cccc2nnsc12
InChIInChI=1S/C6H4N2OS/c9-5-3-1-2-4-6(5)10-8-7-4/h1-3,9H
InChIKeyRLRDUQPREDPKJE-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.40
Rot. Bonds

About 1,2,3-benzothiadiazol-7-ol

1,2,3-benzothiadiazol-7-ol (PubChem CID 83680193) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 1,2,3-benzothiadiazol-7-ol.

Molecular Properties

Compound Name1,2,3-benzothiadiazol-7-ol
PubChem CID83680193
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name1,2,3-benzothiadiazol-7-ol
SMILESOc1cccc2nnsc12
InChIInChI=1S/C6H4N2OS/c9-5-3-1-2-4-6(5)10-8-7-4/h1-3,9H
InChIKeyRLRDUQPREDPKJE-UHFFFAOYSA-N
XLogP1.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazol-7-ol?
The IUPAC name of 1,2,3-benzothiadiazol-7-ol (CID 83680193) is 1,2,3-benzothiadiazol-7-ol.
What is the SMILES notation for 1,2,3-benzothiadiazol-7-ol?
The canonical SMILES for 1,2,3-benzothiadiazol-7-ol is Oc1cccc2nnsc12.
What is the InChIKey of 1,2,3-benzothiadiazol-7-ol?
The InChIKey is RLRDUQPREDPKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-5-3-1-2-4-6(5)10-8-7-4/h1-3,9H.
What are the key properties of 1,2,3-benzothiadiazol-7-ol?
1,2,3-benzothiadiazol-7-ol has a molecular weight of 152.18 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazol-7-ol is sourced from PubChem (CID 83680193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).