6-methylidene-2H-1,3-benzothiazole

C8H7NS — CID 23283920

IUPAC6-methylidene-2H-1,3-benzothiazole
SMILESC=c1ccc2c(c1)SCN=2
InChIInChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,1,5H2
InChIKeyRWGAUSTXKVRSBK-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.78
Rot. Bonds

About 6-methylidene-2H-1,3-benzothiazole

6-methylidene-2H-1,3-benzothiazole (PubChem CID 23283920) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 6-methylidene-2H-1,3-benzothiazole.

Molecular Properties

Compound Name6-methylidene-2H-1,3-benzothiazole
PubChem CID23283920
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name6-methylidene-2H-1,3-benzothiazole
SMILESC=c1ccc2c(c1)SCN=2
InChIInChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,1,5H2
InChIKeyRWGAUSTXKVRSBK-UHFFFAOYSA-N
XLogP0.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2H-1,3-benzothiazole?
The IUPAC name of 6-methylidene-2H-1,3-benzothiazole (CID 23283920) is 6-methylidene-2H-1,3-benzothiazole.
What is the SMILES notation for 6-methylidene-2H-1,3-benzothiazole?
The canonical SMILES for 6-methylidene-2H-1,3-benzothiazole is C=c1ccc2c(c1)SCN=2.
What is the InChIKey of 6-methylidene-2H-1,3-benzothiazole?
The InChIKey is RWGAUSTXKVRSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,1,5H2.
What are the key properties of 6-methylidene-2H-1,3-benzothiazole?
6-methylidene-2H-1,3-benzothiazole has a molecular weight of 149.22 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2H-1,3-benzothiazole is sourced from PubChem (CID 23283920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).