2-(2,2-dibromoethenyl)-1,3-benzothiazole

C9H5Br2NS — CID 139773786

IUPAC2-(2,2-dibromoethenyl)-1,3-benzothiazole
SMILESBrC(Br)=Cc1nc2ccccc2s1
InChIInChI=1S/C9H5Br2NS/c10-8(11)5-9-12-6-3-1-2-4-7(6)13-9/h1-5H
InChIKeyPWMWLRAVHGZPFZ-UHFFFAOYSA-N
MW319.02 g/mol
LogP4.38
Rot. Bonds1

About 2-(2,2-dibromoethenyl)-1,3-benzothiazole

2-(2,2-dibromoethenyl)-1,3-benzothiazole (PubChem CID 139773786) has the molecular formula C9H5Br2NS and a molecular weight of 319.02 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,2-dibromoethenyl)-1,3-benzothiazole
PubChem CID139773786
Molecular FormulaC9H5Br2NS
Molecular Weight319.02 g/mol
Exact Mass316.85
IUPAC Name2-(2,2-dibromoethenyl)-1,3-benzothiazole
SMILESBrC(Br)=Cc1nc2ccccc2s1
InChIInChI=1S/C9H5Br2NS/c10-8(11)5-9-12-6-3-1-2-4-7(6)13-9/h1-5H
InChIKeyPWMWLRAVHGZPFZ-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
CID 135703658
(E)-3-(1,3-benzothiazol-2-yl)-2-phenylprop-2-enoic acid
CID 13082335
2-(2-methylsulfanylbut-1-enyl)-1,3-benzothiazole
CID 154089216
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
2-[(E)-2-(4-methylphenyl)-2-methylsulfanylethenyl]-1,3-benzothiazole
CID 177393571
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
2-(1,3-benzothiazol-2-yl)-1-[4-(trichloromethyl)phenyl]ethenol
CID 173391309
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
CID 142937013
1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
CID 102287449
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2,2-dibromoethenyl)-1,3-benzothiazole (CID 139773786) is 2-(2,2-dibromoethenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2,2-dibromoethenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2,2-dibromoethenyl)-1,3-benzothiazole is BrC(Br)=Cc1nc2ccccc2s1.
What is the InChIKey of 2-(2,2-dibromoethenyl)-1,3-benzothiazole?
The InChIKey is PWMWLRAVHGZPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NS/c10-8(11)5-9-12-6-3-1-2-4-7(6)13-9/h1-5H.
What are the key properties of 2-(2,2-dibromoethenyl)-1,3-benzothiazole?
2-(2,2-dibromoethenyl)-1,3-benzothiazole has a molecular weight of 319.02 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethenyl)-1,3-benzothiazole is sourced from PubChem (CID 139773786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).