[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane

C13H10NOPS — CID 59576597

IUPAC[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane
SMILESPOc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C13H10NOPS/c16-15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)17-13/h1-8H,16H2
InChIKeyLWCWDMBWXRVNRN-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.13
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane

[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane (PubChem CID 59576597) has the molecular formula C13H10NOPS and a molecular weight of 259.27 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane
PubChem CID59576597
Molecular FormulaC13H10NOPS
Molecular Weight259.27 g/mol
Exact Mass259.02
IUPAC Name[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane
SMILESPOc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C13H10NOPS/c16-15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)17-13/h1-8H,16H2
InChIKeyLWCWDMBWXRVNRN-UHFFFAOYSA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
3-[4-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine
CID 62597588
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-[4-(1,3-benzothiazol-2-yl)phenyl]acetonitrile
CID 14762304
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
3-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-2-one
CID 60623850
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane (CID 59576597) is [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane is POc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane?
The InChIKey is LWCWDMBWXRVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10NOPS/c16-15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)17-13/h1-8H,16H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane?
[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane has a molecular weight of 259.27 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)phenoxy]phosphane is sourced from PubChem (CID 59576597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).