2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione

C5H6N2S3 — CID 3614786

IUPAC2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione
SMILESCSc1nc(S)cc(=S)[nH]1
InChIInChI=1S/C5H6N2S3/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChIKeyWQNCOHLSAQQMQF-UHFFFAOYSA-N
MW190.32 g/mol
LogP2.15
Rot. Bonds1

About 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione

2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione (PubChem CID 3614786) has the molecular formula C5H6N2S3 and a molecular weight of 190.32 g/mol. Its IUPAC name is 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione
PubChem CID3614786
Molecular FormulaC5H6N2S3
Molecular Weight190.32 g/mol
Exact Mass189.97
IUPAC Name2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione
SMILESCSc1nc(S)cc(=S)[nH]1
InChIInChI=1S/C5H6N2S3/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChIKeyWQNCOHLSAQQMQF-UHFFFAOYSA-N
XLogP2.15
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione?
The IUPAC name of 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione (CID 3614786) is 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione is CSc1nc(S)cc(=S)[nH]1.
What is the InChIKey of 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione?
The InChIKey is WQNCOHLSAQQMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S3/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione?
2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione has a molecular weight of 190.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-sulfanyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 3614786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).