2-methylidene-3H-benzo[g][1,3]benzothiazole

C12H9NS — CID 89191237

IUPAC2-methylidene-3H-benzo[g][1,3]benzothiazole
SMILESC=C1Nc2ccc3ccccc3c2S1
InChIInChI=1S/C12H9NS/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7,13H,1H2
InChIKeyKHPLZFJBKHHZJV-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.83
Rot. Bonds

About 2-methylidene-3H-benzo[g][1,3]benzothiazole

2-methylidene-3H-benzo[g][1,3]benzothiazole (PubChem CID 89191237) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methylidene-3H-benzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name2-methylidene-3H-benzo[g][1,3]benzothiazole
PubChem CID89191237
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2-methylidene-3H-benzo[g][1,3]benzothiazole
SMILESC=C1Nc2ccc3ccccc3c2S1
InChIInChI=1S/C12H9NS/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7,13H,1H2
InChIKeyKHPLZFJBKHHZJV-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-benzo[g][1,3]benzothiazole?
The IUPAC name of 2-methylidene-3H-benzo[g][1,3]benzothiazole (CID 89191237) is 2-methylidene-3H-benzo[g][1,3]benzothiazole.
What is the SMILES notation for 2-methylidene-3H-benzo[g][1,3]benzothiazole?
The canonical SMILES for 2-methylidene-3H-benzo[g][1,3]benzothiazole is C=C1Nc2ccc3ccccc3c2S1.
What is the InChIKey of 2-methylidene-3H-benzo[g][1,3]benzothiazole?
The InChIKey is KHPLZFJBKHHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7,13H,1H2.
What are the key properties of 2-methylidene-3H-benzo[g][1,3]benzothiazole?
2-methylidene-3H-benzo[g][1,3]benzothiazole has a molecular weight of 199.28 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-benzo[g][1,3]benzothiazole is sourced from PubChem (CID 89191237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).