carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)

C6H8N2SW — CID 20662590

IUPACcarbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)
SMILESCn1[c-]nccc1=S.[CH3-].[W+2]
InChIInChI=1S/C5H5N2S.CH3.W/c1-7-4-6-3-2-5(7)8;;/h2-3H,1H3;1H3;/q2*-1;+2
InChIKeyPIJAVRZHGKLHCO-UHFFFAOYSA-N
MW324.05 g/mol
LogP1.40
Rot. Bonds

About carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)

carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+) (PubChem CID 20662590) has the molecular formula C6H8N2SW and a molecular weight of 324.05 g/mol. Its IUPAC name is carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+).

Molecular Properties

Compound Namecarbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)
PubChem CID20662590
Molecular FormulaC6H8N2SW
Molecular Weight324.05 g/mol
Exact Mass323.99
IUPAC Namecarbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)
SMILESCn1[c-]nccc1=S.[CH3-].[W+2]
InChIInChI=1S/C5H5N2S.CH3.W/c1-7-4-6-3-2-5(7)8;;/h2-3H,1H3;1H3;/q2*-1;+2
InChIKeyPIJAVRZHGKLHCO-UHFFFAOYSA-N
XLogP1.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.05
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylpyrimidine-4(3H)-thione
CID 303843
Mnqtvkdyyqxzse-uhfffaoysa-
CID 21594905
6-(Dimethylamino)-3-methylpyrimidine-4(3H)-thione
CID 45118482
2-(Dimethylamino)-3-methyl-4(3H)-pyrimidinethione
CID 45118483
2-Amino-3-methyl-4(3H)-pyrimidinethione
CID 55281180
(E)-3-(dimethylamino)-N-(dimethylaminomethylidene)prop-2-enethioamide
CID 11957934
2,3-Dimethylpyrimidine-4-thione
CID 20678886
5-Deuterio-1-methylpyrimidine-4-thione
CID 59374822
3-Propan-2-ylpyrimidine-4-thione
CID 59386650
3-Prop-2-enylpyrimidine-4-thione
CID 88373446
3-Ethylpyrimidine-4-thione
CID 168106023
3-Methyl-2-methylsulfanylpyrimidine-4-thione
CID 21825995

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)?
The IUPAC name of carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+) (CID 20662590) is carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+).
What is the SMILES notation for carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)?
The canonical SMILES for carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+) is Cn1[c-]nccc1=S.[CH3-].[W+2].
What is the InChIKey of carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)?
The InChIKey is PIJAVRZHGKLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2S.CH3.W/c1-7-4-6-3-2-5(7)8;;/h2-3H,1H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)?
carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+) has a molecular weight of 324.05 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+) is sourced from PubChem (CID 20662590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).