2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium

C12H8NSY- — CID 147870543

IUPAC2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium
SMILESCc1nc2ccc3c[c-]ccc3c2s1.[Y]
InChIInChI=1S/C12H8NS.Y/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8;/h3-7H,1H3;/q-1;
InChIKeyKNFGCXCPINEYTP-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.56
Rot. Bonds

About 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium

2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium (PubChem CID 147870543) has the molecular formula C12H8NSY- and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium.

Molecular Properties

Compound Name2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium
PubChem CID147870543
Molecular FormulaC12H8NSY-
Molecular Weight287.18 g/mol
Exact Mass286.94
IUPAC Name2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium
SMILESCc1nc2ccc3c[c-]ccc3c2s1.[Y]
InChIInChI=1S/C12H8NS.Y/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8;/h3-7H,1H3;/q-1;
InChIKeyKNFGCXCPINEYTP-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide
CID 133144602
6-amino-2-methyl-1,3-benzothiazole-7-thiol
CID 45077563
6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
CID 130063292
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole
CID 118344265
2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole
CID 70937598
7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole
CID 45077751
4-(2-methylbenzo[g][1,3]benzothiazol-7-yl)oxyborinane-1-carbonitrile
CID 172599502
2-methyl-4-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 176673227
11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine
CID 139206208
7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole
CID 134416694
2-methyl-[1,3]thiazolo[4,5-c]quinoline;hydrochloride
CID 3066128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium?
The IUPAC name of 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium (CID 147870543) is 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium.
What is the SMILES notation for 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium?
The canonical SMILES for 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium is Cc1nc2ccc3c[c-]ccc3c2s1.[Y].
What is the InChIKey of 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium?
The InChIKey is KNFGCXCPINEYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8NS.Y/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8;/h3-7H,1H3;/q-1;.
What are the key properties of 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium?
2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium has a molecular weight of 287.18 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium is sourced from PubChem (CID 147870543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).