(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane

C8H7FNPS — CID 167500583

IUPAC(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane
SMILESCc1nc2c(F)cc(P)cc2s1
InChIInChI=1S/C8H7FNPS/c1-4-10-8-6(9)2-5(11)3-7(8)12-4/h2-3H,11H2,1H3
InChIKeyFPMVYABWIMAYLY-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.24
Rot. Bonds

About (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane

(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane (PubChem CID 167500583) has the molecular formula C8H7FNPS and a molecular weight of 199.19 g/mol. Its IUPAC name is (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane.

Molecular Properties

Compound Name(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane
PubChem CID167500583
Molecular FormulaC8H7FNPS
Molecular Weight199.19 g/mol
Exact Mass199.00
IUPAC Name(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane
SMILESCc1nc2c(F)cc(P)cc2s1
InChIInChI=1S/C8H7FNPS/c1-4-10-8-6(9)2-5(11)3-7(8)12-4/h2-3H,11H2,1H3
InChIKeyFPMVYABWIMAYLY-UHFFFAOYSA-N
XLogP2.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-methyl-1,3-benzothiazole;4,6-difluoro-2-methyl-1,3-benzothiazole
CID 157222863
6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole
CID 178048806
2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole
CID 134416802
4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride
CID 162433200
2-chloro-4,6-difluoro-1,3-benzothiazole
CID 2049883
2,6-ditert-butyl-4-fluoro-1,3-benzothiazole
CID 134411028
2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole
CID 59782205
6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134416793
2,4-difluoro-1,3-benzothiazol-6-ol
CID 174737226
6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 147060099
6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
CID 58470056
6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
CID 84676680

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane?
The IUPAC name of (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane (CID 167500583) is (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane.
What is the SMILES notation for (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane?
The canonical SMILES for (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane is Cc1nc2c(F)cc(P)cc2s1.
What is the InChIKey of (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane?
The InChIKey is FPMVYABWIMAYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FNPS/c1-4-10-8-6(9)2-5(11)3-7(8)12-4/h2-3H,11H2,1H3.
What are the key properties of (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane?
(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane has a molecular weight of 199.19 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane is sourced from PubChem (CID 167500583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).