N,N'-dimethylcarbamimidothioate;yttrium(3+)

C3H7N2SY+2 — CID 21356879

IUPACN,N'-dimethylcarbamimidothioate;yttrium(3+)
SMILESC/N=C(\[S-])NC.[Y+3]
InChIInChI=1S/C3H8N2S.Y/c1-4-3(6)5-2;/h1-2H3,(H2,4,5,6);/q;+3/p-1
InChIKeyYZEGIHOYJJHUIO-UHFFFAOYSA-M
MW192.08 g/mol
LogP-0.26
Rot. Bonds

About N,N'-dimethylcarbamimidothioate;yttrium(3+)

N,N'-dimethylcarbamimidothioate;yttrium(3+) (PubChem CID 21356879) has the molecular formula C3H7N2SY+2 and a molecular weight of 192.08 g/mol. Its IUPAC name is N,N'-dimethylcarbamimidothioate;yttrium(3+).

Molecular Properties

Compound NameN,N'-dimethylcarbamimidothioate;yttrium(3+)
PubChem CID21356879
Molecular FormulaC3H7N2SY+2
Molecular Weight192.08 g/mol
Exact Mass191.94
IUPAC NameN,N'-dimethylcarbamimidothioate;yttrium(3+)
SMILESC/N=C(\[S-])NC.[Y+3]
InChIInChI=1S/C3H8N2S.Y/c1-4-3(6)5-2;/h1-2H3,(H2,4,5,6);/q;+3/p-1
InChIKeyYZEGIHOYJJHUIO-UHFFFAOYSA-M
XLogP-0.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 5-0.26
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_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylcarbamimidothioate;yttrium(3+)?
The IUPAC name of N,N'-dimethylcarbamimidothioate;yttrium(3+) (CID 21356879) is N,N'-dimethylcarbamimidothioate;yttrium(3+).
What is the SMILES notation for N,N'-dimethylcarbamimidothioate;yttrium(3+)?
The canonical SMILES for N,N'-dimethylcarbamimidothioate;yttrium(3+) is C/N=C(\[S-])NC.[Y+3].
What is the InChIKey of N,N'-dimethylcarbamimidothioate;yttrium(3+)?
The InChIKey is YZEGIHOYJJHUIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8N2S.Y/c1-4-3(6)5-2;/h1-2H3,(H2,4,5,6);/q;+3/p-1.
What are the key properties of N,N'-dimethylcarbamimidothioate;yttrium(3+)?
N,N'-dimethylcarbamimidothioate;yttrium(3+) has a molecular weight of 192.08 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylcarbamimidothioate;yttrium(3+) is sourced from PubChem (CID 21356879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).