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

C7H12N2SW — CID 157354941

IUPAC[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten
SMILESC=C/N=C(\C(=[W])CS)N(C)C
InChIInChI=1S/C7H12N2S.W/c1-4-8-7(5-6-10)9(2)3;/h4,10H,1,6H2,2-3H3;/b8-7+;
InChIKeyYCXWVMKZFYKPJT-USRGLUTNSA-N
MW340.09 g/mol
LogP0.74
Rot. Bonds3

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

[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten (PubChem CID 157354941) has the molecular formula C7H12N2SW and a molecular weight of 340.09 g/mol. Its IUPAC name is [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten.

Molecular Properties

Compound Name[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten
PubChem CID157354941
Molecular FormulaC7H12N2SW
Molecular Weight340.09 g/mol
Exact Mass340.02
IUPAC Name[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten
SMILESC=C/N=C(\C(=[W])CS)N(C)C
InChIInChI=1S/C7H12N2S.W/c1-4-8-7(5-6-10)9(2)3;/h4,10H,1,6H2,2-3H3;/b8-7+;
InChIKeyYCXWVMKZFYKPJT-USRGLUTNSA-N
XLogP0.74
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

[1-(Dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane
CID 157354940
[1-(Dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten
CID 161225830

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten?
The IUPAC name of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten (CID 157354941) is [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten.
What is the SMILES notation for [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten?
The canonical SMILES for [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten is C=C/N=C(\C(=[W])CS)N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten?
The InChIKey is YCXWVMKZFYKPJT-USRGLUTNSA-N. The full InChI is InChI=1S/C7H12N2S.W/c1-4-8-7(5-6-10)9(2)3;/h4,10H,1,6H2,2-3H3;/b8-7+;.
What are the key properties of [1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten?
[1-(dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten has a molecular weight of 340.09 g/mol, XLogP of 0.74, 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 is sourced from PubChem (CID 157354941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).