[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane

C8H15N2SW- — CID 157354940

IUPAC[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane
SMILESC.[H]/[C-]=C/N=C(\C(=[W])CS)N(C)C
InChIInChI=1S/C7H11N2S.CH4.W/c1-4-8-7(5-6-10)9(2)3;;/h1,4,10H,6H2,2-3H3;1H4;/q-1;;/b8-7+;;
InChIKeyFVOCHVVNJLLLIU-MIIBGCIDSA-N
MW355.13 g/mol
LogP1.18
Rot. Bonds3

About [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane

[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane (PubChem CID 157354940) has the molecular formula C8H15N2SW- and a molecular weight of 355.13 g/mol. Its IUPAC name is [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane.

Molecular Properties

Compound Name[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane
PubChem CID157354940
Molecular FormulaC8H15N2SW-
Molecular Weight355.13 g/mol
Exact Mass355.05
IUPAC Name[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane
SMILESC.[H]/[C-]=C/N=C(\C(=[W])CS)N(C)C
InChIInChI=1S/C7H11N2S.CH4.W/c1-4-8-7(5-6-10)9(2)3;;/h1,4,10H,6H2,2-3H3;1H4;/q-1;;/b8-7+;;
InChIKeyFVOCHVVNJLLLIU-MIIBGCIDSA-N
XLogP1.18
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156751202
[1-(Dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane
CID 161225829
[1-(Dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten
CID 157354941

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane?
The IUPAC name of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane (CID 157354940) is [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane.
What is the SMILES notation for [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane?
The canonical SMILES for [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane is C.[H]/[C-]=C/N=C(\C(=[W])CS)N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane?
The InChIKey is FVOCHVVNJLLLIU-MIIBGCIDSA-N. The full InChI is InChI=1S/C7H11N2S.CH4.W/c1-4-8-7(5-6-10)9(2)3;;/h1,4,10H,6H2,2-3H3;1H4;/q-1;;/b8-7+;;.
What are the key properties of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane?
[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane has a molecular weight of 355.13 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane is sourced from PubChem (CID 157354940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).