1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)

C8H7NSV — CID 20670826

IUPAC1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)
SMILESCS/[C-]=N/c1[c-]cccc1.[V+2]
InChIInChI=1S/C8H7NS.V/c1-10-7-9-8-5-3-2-4-6-8;/h2-5H,1H3;/q-2;+2
InChIKeyBERNUCXDEZYKOK-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.38
Rot. Bonds2

About 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)

1-methylsulfanyl-N-phenylmethanimine;vanadium(2+) (PubChem CID 20670826) has the molecular formula C8H7NSV and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+).

Molecular Properties

Compound Name1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)
PubChem CID20670826
Molecular FormulaC8H7NSV
Molecular Weight200.16 g/mol
Exact Mass199.97
IUPAC Name1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)
SMILESCS/[C-]=N/c1[c-]cccc1.[V+2]
InChIInChI=1S/C8H7NS.V/c1-10-7-9-8-5-3-2-4-6-8;/h2-5H,1H3;/q-2;+2
InChIKeyBERNUCXDEZYKOK-UHFFFAOYSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7H-1,3-benzothiazol-7-ide;vanadium
CID 58775002
7H-1,3-benzothiazol-7-ide;vanadium
CID 58775540
Phenyliminomethanethiol;vanadium(2+)
CID 59952831
4H-1,3-benzothiazol-4-ide;carbanide;vanadium(2+)
CID 153553384

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)?
The IUPAC name of 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+) (CID 20670826) is 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+).
What is the SMILES notation for 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)?
The canonical SMILES for 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+) is CS/[C-]=N/c1[c-]cccc1.[V+2].
What is the InChIKey of 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)?
The InChIKey is BERNUCXDEZYKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.V/c1-10-7-9-8-5-3-2-4-6-8;/h2-5H,1H3;/q-2;+2.
What are the key properties of 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+)?
1-methylsulfanyl-N-phenylmethanimine;vanadium(2+) has a molecular weight of 200.16 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-phenylmethanimine;vanadium(2+) is sourced from PubChem (CID 20670826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).