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

C8H6NSV- — CID 58775124

IUPAC2-methyl-4H-1,3-benzothiazol-4-ide;vanadium
SMILESCc1nc2[c-]cccc2s1.[V]
InChIInChI=1S/C8H6NS.V/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-3,5H,1H3;/q-1;
InChIKeyNKCAENZEBPMUHN-UHFFFAOYSA-N
MW199.15 g/mol
LogP2.40
Rot. Bonds

About 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium

2-methyl-4H-1,3-benzothiazol-4-ide;vanadium (PubChem CID 58775124) has the molecular formula C8H6NSV- and a molecular weight of 199.15 g/mol. Its IUPAC name is 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium.

Molecular Properties

Compound Name2-methyl-4H-1,3-benzothiazol-4-ide;vanadium
PubChem CID58775124
Molecular FormulaC8H6NSV-
Molecular Weight199.15 g/mol
Exact Mass198.97
IUPAC Name2-methyl-4H-1,3-benzothiazol-4-ide;vanadium
SMILESCc1nc2[c-]cccc2s1.[V]
InChIInChI=1S/C8H6NS.V/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-3,5H,1H3;/q-1;
InChIKeyNKCAENZEBPMUHN-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-methyl-7H-1,3-benzothiazol-7-ide;vanadium
CID 58775002
2-methyl-7H-1,3-benzothiazol-7-ide;yttrium
CID 59098054
(5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-methylidene-1,3-thiazole
CID 89272485
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
CID 89277021
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-thiazole
CID 129147821
(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1,3-thiazole
CID 129213350
(5E)-2-methyl-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 141951527
ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-thiazole
CID 141958912
(5E)-5-[(E)-but-2-enylidene]-2-methyl-4-methylidene-1,3-thiazole
CID 141997587
(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole
CID 142266521
ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole
CID 142274469
ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole
CID 142302136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
The IUPAC name of 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium (CID 58775124) is 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium.
What is the SMILES notation for 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
The canonical SMILES for 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium is Cc1nc2[c-]cccc2s1.[V].
What is the InChIKey of 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
The InChIKey is NKCAENZEBPMUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NS.V/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-3,5H,1H3;/q-1;.
What are the key properties of 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium?
2-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 2-methyl-4H-1,3-benzothiazol-4-ide;vanadium is sourced from PubChem (CID 58775124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).