methanethione;bis(pyrimidine)

C9H10N4S — CID 174411529

IUPACmethanethione;bis(pyrimidine)
SMILESC=S.c1cncnc1.c1cncnc1
InChIInChI=1S/2C4H4N2.CH2S/c2*1-2-5-4-6-3-1;1-2/h2*1-4H;1H2
InChIKeyJAOVMFPOIOAEOL-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.57
Rot. Bonds

About methanethione;bis(pyrimidine)

methanethione;bis(pyrimidine) (PubChem CID 174411529) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is methanethione;bis(pyrimidine).

Molecular Properties

Compound Namemethanethione;bis(pyrimidine)
PubChem CID174411529
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Namemethanethione;bis(pyrimidine)
SMILESC=S.c1cncnc1.c1cncnc1
InChIInChI=1S/2C4H4N2.CH2S/c2*1-2-5-4-6-3-1;1-2/h2*1-4H;1H2
InChIKeyJAOVMFPOIOAEOL-UHFFFAOYSA-N
XLogP1.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 175709201
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CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
CID 174457230
CID 174457230
hypochlorous acid;pyrimidine
CID 161391603
iminonickel;pyrimidine
CID 175480865
ethenol;pyrimidine
CID 174498659
pyrazine;pyridine;pyrimidine
CID 19013313
fluoroform;pyrimidine
CID 163693887

Frequently Asked Questions

What is the IUPAC name of methanethione;bis(pyrimidine)?
The IUPAC name of methanethione;bis(pyrimidine) (CID 174411529) is methanethione;bis(pyrimidine).
What is the SMILES notation for methanethione;bis(pyrimidine)?
The canonical SMILES for methanethione;bis(pyrimidine) is C=S.c1cncnc1.c1cncnc1.
What is the InChIKey of methanethione;bis(pyrimidine)?
The InChIKey is JAOVMFPOIOAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2.CH2S/c2*1-2-5-4-6-3-1;1-2/h2*1-4H;1H2.
What are the key properties of methanethione;bis(pyrimidine)?
methanethione;bis(pyrimidine) has a molecular weight of 206.27 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanethione;bis(pyrimidine) is sourced from PubChem (CID 174411529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).