6-propan-2-yl-2-tritio-1,3-benzothiazole

C10H11NS — CID 155790189

IUPAC6-propan-2-yl-2-tritio-1,3-benzothiazole
SMILES[3H]c1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C10H11NS/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7H,1-2H3/i6T
InChIKeySIZCAMBYKFGFAR-NGIXYFTOSA-N
MW179.28 g/mol
LogP3.42
Rot. Bonds1

About 6-propan-2-yl-2-tritio-1,3-benzothiazole

6-propan-2-yl-2-tritio-1,3-benzothiazole (PubChem CID 155790189) has the molecular formula C10H11NS and a molecular weight of 179.28 g/mol. Its IUPAC name is 6-propan-2-yl-2-tritio-1,3-benzothiazole.

Molecular Properties

Compound Name6-propan-2-yl-2-tritio-1,3-benzothiazole
PubChem CID155790189
Molecular FormulaC10H11NS
Molecular Weight179.28 g/mol
Exact Mass179.07
IUPAC Name6-propan-2-yl-2-tritio-1,3-benzothiazole
SMILES[3H]c1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C10H11NS/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7H,1-2H3/i6T
InChIKeySIZCAMBYKFGFAR-NGIXYFTOSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-tritio-1,3-benzothiazole?
The IUPAC name of 6-propan-2-yl-2-tritio-1,3-benzothiazole (CID 155790189) is 6-propan-2-yl-2-tritio-1,3-benzothiazole.
What is the SMILES notation for 6-propan-2-yl-2-tritio-1,3-benzothiazole?
The canonical SMILES for 6-propan-2-yl-2-tritio-1,3-benzothiazole is [3H]c1nc2ccc(C(C)C)cc2s1.
What is the InChIKey of 6-propan-2-yl-2-tritio-1,3-benzothiazole?
The InChIKey is SIZCAMBYKFGFAR-NGIXYFTOSA-N. The full InChI is InChI=1S/C10H11NS/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7H,1-2H3/i6T.
What are the key properties of 6-propan-2-yl-2-tritio-1,3-benzothiazole?
6-propan-2-yl-2-tritio-1,3-benzothiazole has a molecular weight of 179.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-tritio-1,3-benzothiazole is sourced from PubChem (CID 155790189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).