perchloric acid;2-propyl-1,3-benzothiazole

C10H12ClNO4S — CID 158890819

IUPACperchloric acid;2-propyl-1,3-benzothiazole
SMILESCCCc1nc2ccccc2s1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C10H11NS.ClHO4/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;2-1(3,4)5/h3-4,6-7H,2,5H2,1H3;(H,2,3,4,5)
InChIKeyJEFBTUHIIJGAFN-UHFFFAOYSA-N
MW277.73 g/mol
LogP-0.88
Rot. Bonds2

About perchloric acid;2-propyl-1,3-benzothiazole

perchloric acid;2-propyl-1,3-benzothiazole (PubChem CID 158890819) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is perchloric acid;2-propyl-1,3-benzothiazole.

Molecular Properties

Compound Nameperchloric acid;2-propyl-1,3-benzothiazole
PubChem CID158890819
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Nameperchloric acid;2-propyl-1,3-benzothiazole
SMILESCCCc1nc2ccccc2s1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C10H11NS.ClHO4/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;2-1(3,4)5/h3-4,6-7H,2,5H2,1H3;(H,2,3,4,5)
InChIKeyJEFBTUHIIJGAFN-UHFFFAOYSA-N
XLogP-0.88
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
1-(1,3-benzothiazol-2-yl)-4-methylpentan-3-ol
CID 104631696
2-(4-bromo-3-methylbutyl)-1,3-benzothiazole
CID 79818549
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine
CID 79818955
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
CID 134052869
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
2-propyl-1,3-benzothiazol-4-ol
CID 82190216
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103
1-(1,3-benzothiazol-2-yl)-2-methylbutan-2-ol
CID 79819076
2-propyl-1,3-benzothiazole-5-sulfonic acid
CID 86583204

Frequently Asked Questions

What is the IUPAC name of perchloric acid;2-propyl-1,3-benzothiazole?
The IUPAC name of perchloric acid;2-propyl-1,3-benzothiazole (CID 158890819) is perchloric acid;2-propyl-1,3-benzothiazole.
What is the SMILES notation for perchloric acid;2-propyl-1,3-benzothiazole?
The canonical SMILES for perchloric acid;2-propyl-1,3-benzothiazole is CCCc1nc2ccccc2s1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of perchloric acid;2-propyl-1,3-benzothiazole?
The InChIKey is JEFBTUHIIJGAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.ClHO4/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;2-1(3,4)5/h3-4,6-7H,2,5H2,1H3;(H,2,3,4,5).
What are the key properties of perchloric acid;2-propyl-1,3-benzothiazole?
perchloric acid;2-propyl-1,3-benzothiazole has a molecular weight of 277.73 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;2-propyl-1,3-benzothiazole is sourced from PubChem (CID 158890819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).