7-methyl-4H-1,3-benzothiazol-4-ide;vanadium

C8H6NSV- — CID 58775348

IUPAC7-methyl-4H-1,3-benzothiazol-4-ide;vanadium
SMILESCc1cc[c-]c2ncsc12.[V]
InChIInChI=1S/C8H6NS.V/c1-6-3-2-4-7-8(6)10-5-9-7;/h2-3,5H,1H3;/q-1;
InChIKeyNPOXHPRZRXEQSQ-UHFFFAOYSA-N
MW199.15 g/mol
LogP2.40
Rot. Bonds

About 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium

7-methyl-4H-1,3-benzothiazol-4-ide;vanadium (PubChem CID 58775348) has the molecular formula C8H6NSV- and a molecular weight of 199.15 g/mol. Its IUPAC name is 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium.

Molecular Properties

Compound Name7-methyl-4H-1,3-benzothiazol-4-ide;vanadium
PubChem CID58775348
Molecular FormulaC8H6NSV-
Molecular Weight199.15 g/mol
Exact Mass198.97
IUPAC Name7-methyl-4H-1,3-benzothiazol-4-ide;vanadium
SMILESCc1cc[c-]c2ncsc12.[V]
InChIInChI=1S/C8H6NS.V/c1-6-3-2-4-7-8(6)10-5-9-7;/h2-3,5H,1H3;/q-1;
InChIKeyNPOXHPRZRXEQSQ-UHFFFAOYSA-N
XLogP2.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 52.40
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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Related Compounds

2,7-dimethyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 57951438
7-methyl-5H-1,3-benzothiazol-5-ide;vanadium
CID 58775459
4-methyl-7H-1,3-benzothiazol-7-ide;vanadium
CID 58775463
4-methyl-6H-1,3-benzothiazol-6-ide;vanadium
CID 58775489
8H-indeno[1,2-d][1,3]thiazole
CID 87388293
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
6-methylidene-5H-1,3-benzothiazole
CID 140784051
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
CID 144598129
5,6-Dihydro-1,3-benzothiazole;ethane
CID 145058029
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 145484044

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
The IUPAC name of 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium (CID 58775348) is 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium.
What is the SMILES notation for 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
The canonical SMILES for 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium is Cc1cc[c-]c2ncsc12.[V].
What is the InChIKey of 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
The InChIKey is NPOXHPRZRXEQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NS.V/c1-6-3-2-4-7-8(6)10-5-9-7;/h2-3,5H,1H3;/q-1;.
What are the key properties of 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
7-methyl-4H-1,3-benzothiazol-4-ide;vanadium has a molecular weight of 199.15 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4H-1,3-benzothiazol-4-ide;vanadium is sourced from PubChem (CID 58775348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).