benzo[g][1,2]benzothiazole

C11H7NS — CID 12614610

IUPACbenzo[g][1,2]benzothiazole
SMILESc1ccc2c(c1)ccc1cnsc12
InChIInChI=1S/C11H7NS/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-7H
InChIKeyMEHUWZCAEKSNEC-UHFFFAOYSA-N
MW185.25 g/mol
LogP3.45
Rot. Bonds

About benzo[g][1,2]benzothiazole

benzo[g][1,2]benzothiazole (PubChem CID 12614610) has the molecular formula C11H7NS and a molecular weight of 185.25 g/mol. Its IUPAC name is benzo[g][1,2]benzothiazole.

Molecular Properties

Compound Namebenzo[g][1,2]benzothiazole
PubChem CID12614610
Molecular FormulaC11H7NS
Molecular Weight185.25 g/mol
Exact Mass185.03
IUPAC Namebenzo[g][1,2]benzothiazole
SMILESc1ccc2c(c1)ccc1cnsc12
InChIInChI=1S/C11H7NS/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-7H
InChIKeyMEHUWZCAEKSNEC-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenanthro[1,2-g][1,2]benzothiazole
CID 162767558
7-(piperidin-4-ylmethyl)-1,2-benzothiazole
CID 84795660
O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine
CID 117284726
1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine
CID 117292875
(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine
CID 117281991
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
6-ethyl-7-fluoro-1,2-benzothiazole
CID 130064258
7-(isocyanatomethyl)-1,2-benzothiazole
CID 117281804
1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
CID 105473191
4-(1,2-benzothiazol-7-yl)butanoic acid
CID 117315894
[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine
CID 117368834

Frequently Asked Questions

What is the IUPAC name of benzo[g][1,2]benzothiazole?
The IUPAC name of benzo[g][1,2]benzothiazole (CID 12614610) is benzo[g][1,2]benzothiazole.
What is the SMILES notation for benzo[g][1,2]benzothiazole?
The canonical SMILES for benzo[g][1,2]benzothiazole is c1ccc2c(c1)ccc1cnsc12.
What is the InChIKey of benzo[g][1,2]benzothiazole?
The InChIKey is MEHUWZCAEKSNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-7H.
What are the key properties of benzo[g][1,2]benzothiazole?
benzo[g][1,2]benzothiazole has a molecular weight of 185.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,2]benzothiazole is sourced from PubChem (CID 12614610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).