2-phenyl-3H-1,3,2-benzothiazaphosphole

C12H10NPS — CID 12670054

IUPAC2-phenyl-3H-1,3,2-benzothiazaphosphole
SMILESc1ccc(P2Nc3ccccc3S2)cc1
InChIInChI=1S/C12H10NPS/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)15-14/h1-9,13H
InChIKeyQZANHYFOEHLTCZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.84
Rot. Bonds1

About 2-phenyl-3H-1,3,2-benzothiazaphosphole

2-phenyl-3H-1,3,2-benzothiazaphosphole (PubChem CID 12670054) has the molecular formula C12H10NPS and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-phenyl-3H-1,3,2-benzothiazaphosphole.

Molecular Properties

Compound Name2-phenyl-3H-1,3,2-benzothiazaphosphole
PubChem CID12670054
Molecular FormulaC12H10NPS
Molecular Weight231.26 g/mol
Exact Mass231.03
IUPAC Name2-phenyl-3H-1,3,2-benzothiazaphosphole
SMILESc1ccc(P2Nc3ccccc3S2)cc1
InChIInChI=1S/C12H10NPS/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)15-14/h1-9,13H
InChIKeyQZANHYFOEHLTCZ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.84
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-phenyl-3H-1,3,2-benzothiazaphosphole?
The IUPAC name of 2-phenyl-3H-1,3,2-benzothiazaphosphole (CID 12670054) is 2-phenyl-3H-1,3,2-benzothiazaphosphole.
What is the SMILES notation for 2-phenyl-3H-1,3,2-benzothiazaphosphole?
The canonical SMILES for 2-phenyl-3H-1,3,2-benzothiazaphosphole is c1ccc(P2Nc3ccccc3S2)cc1.
What is the InChIKey of 2-phenyl-3H-1,3,2-benzothiazaphosphole?
The InChIKey is QZANHYFOEHLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NPS/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)15-14/h1-9,13H.
What are the key properties of 2-phenyl-3H-1,3,2-benzothiazaphosphole?
2-phenyl-3H-1,3,2-benzothiazaphosphole has a molecular weight of 231.26 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-1,3,2-benzothiazaphosphole is sourced from PubChem (CID 12670054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).