2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane

C8H10NPS — CID 143467783

IUPAC2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane
SMILESPCc1ccc2c(c1)SCN2
InChIInChI=1S/C8H10NPS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-3,9H,4-5,10H2
InChIKeyQLNOOONCZZGPEY-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.54
Rot. Bonds1

About 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane

2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane (PubChem CID 143467783) has the molecular formula C8H10NPS and a molecular weight of 183.22 g/mol. Its IUPAC name is 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane.

Molecular Properties

Compound Name2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane
PubChem CID143467783
Molecular FormulaC8H10NPS
Molecular Weight183.22 g/mol
Exact Mass183.03
IUPAC Name2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane
SMILESPCc1ccc2c(c1)SCN2
InChIInChI=1S/C8H10NPS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-3,9H,4-5,10H2
InChIKeyQLNOOONCZZGPEY-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane?
The IUPAC name of 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane (CID 143467783) is 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane.
What is the SMILES notation for 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane?
The canonical SMILES for 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane is PCc1ccc2c(c1)SCN2.
What is the InChIKey of 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane?
The InChIKey is QLNOOONCZZGPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NPS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-3,9H,4-5,10H2.
What are the key properties of 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane?
2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane has a molecular weight of 183.22 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane is sourced from PubChem (CID 143467783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).