2H-1,3-benzothiazol-2-ide;copper(1+);phosphane

C7H10CuNP2S — CID 134942814

IUPAC2H-1,3-benzothiazol-2-ide;copper(1+);phosphane
SMILESP.P.[Cu+].[c-]1nc2ccccc2s1
InChIInChI=1S/C7H4NS.Cu.2H3P/c1-2-4-7-6(3-1)8-5-9-7;;;/h1-4H;;2*1H3/q-1;+1;;
InChIKeyLMXBHLBQKWHTMR-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.21
Rot. Bonds

About 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane

2H-1,3-benzothiazol-2-ide;copper(1+);phosphane (PubChem CID 134942814) has the molecular formula C7H10CuNP2S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane.

Molecular Properties

Compound Name2H-1,3-benzothiazol-2-ide;copper(1+);phosphane
PubChem CID134942814
Molecular FormulaC7H10CuNP2S
Molecular Weight265.72 g/mol
Exact Mass264.93
IUPAC Name2H-1,3-benzothiazol-2-ide;copper(1+);phosphane
SMILESP.P.[Cu+].[c-]1nc2ccccc2s1
InChIInChI=1S/C7H4NS.Cu.2H3P/c1-2-4-7-6(3-1)8-5-9-7;;;/h1-4H;;2*1H3/q-1;+1;;
InChIKeyLMXBHLBQKWHTMR-UHFFFAOYSA-N
XLogP2.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;2H-1,3-benzothiazol-2-ide;yttrium
CID 138981943
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1,3-benzothiazole;trihydrochloride
CID 162189976
azane;1,3-benzothiazole
CID 68815700
1,3-benzothiazole;zinc
CID 66588590
tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium
CID 75312247
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
calcium;1,3-benzothiazole;hydride
CID 174565212
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
zinc 1,3-benzothiazole-2-thiolate
CID 25200224
1,3-benzothiazole;thiohydroxylamine
CID 174771488
phenazine;silver
CID 175026023

Frequently Asked Questions

What is the IUPAC name of 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane?
The IUPAC name of 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane (CID 134942814) is 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane.
What is the SMILES notation for 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane?
The canonical SMILES for 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane is P.P.[Cu+].[c-]1nc2ccccc2s1.
What is the InChIKey of 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane?
The InChIKey is LMXBHLBQKWHTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NS.Cu.2H3P/c1-2-4-7-6(3-1)8-5-9-7;;;/h1-4H;;2*1H3/q-1;+1;;.
What are the key properties of 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane?
2H-1,3-benzothiazol-2-ide;copper(1+);phosphane has a molecular weight of 265.72 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-benzothiazol-2-ide;copper(1+);phosphane is sourced from PubChem (CID 134942814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).