(6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole

C12H12N2S — CID 6991746

IUPAC(6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole
SMILESc1ccc([C@@H]2CCc3nnsc3C2)cc1
InChIInChI=1S/C12H12N2S/c1-2-4-9(5-3-1)10-6-7-11-12(8-10)15-14-13-11/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyULGGCXIOIFFJGW-SNVBAGLBSA-N
MW216.31 g/mol
LogP2.81
Rot. Bonds1

About (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole

(6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole (PubChem CID 6991746) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name(6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole
PubChem CID6991746
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name(6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole
SMILESc1ccc([C@@H]2CCc3nnsc3C2)cc1
InChIInChI=1S/C12H12N2S/c1-2-4-9(5-3-1)10-6-7-11-12(8-10)15-14-13-11/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyULGGCXIOIFFJGW-SNVBAGLBSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole?
The IUPAC name of (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole (CID 6991746) is (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole.
What is the SMILES notation for (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole?
The canonical SMILES for (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole is c1ccc([C@@H]2CCc3nnsc3C2)cc1.
What is the InChIKey of (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole?
The InChIKey is ULGGCXIOIFFJGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-4-9(5-3-1)10-6-7-11-12(8-10)15-14-13-11/h1-5,10H,6-8H2/t10-/m1/s1.
What are the key properties of (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole?
(6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole has a molecular weight of 216.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-phenyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole is sourced from PubChem (CID 6991746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).