CID 70357325

C5H6K2N2O2S — CID 70357325

IUPAC—
SMILESCSc1nc(O)cc(=O)[nH]1.[K].[K]
InChIInChI=1S/C5H6N2O2S.2K/c1-10-5-6-3(8)2-4(9)7-5;;/h2H,1H3,(H2,6,7,8,9);;
InChIKeyFFABMPYKCPZZGS-UHFFFAOYSA-N
MW236.38 g/mol
LogP-0.56
Rot. Bonds1

About CID 70357325

CID 70357325 (PubChem CID 70357325) has the molecular formula C5H6K2N2O2S and a molecular weight of 236.38 g/mol.

Molecular Properties

Compound NameCID 70357325
PubChem CID70357325
Molecular FormulaC5H6K2N2O2S
Molecular Weight236.38 g/mol
Exact Mass235.94
IUPAC Name—
SMILESCSc1nc(O)cc(=O)[nH]1.[K].[K]
InChIInChI=1S/C5H6N2O2S.2K/c1-10-5-6-3(8)2-4(9)7-5;;/h2H,1H3,(H2,6,7,8,9);;
InChIKeyFFABMPYKCPZZGS-UHFFFAOYSA-N
XLogP-0.56
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
CID 20587221
4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one
CID 63612263
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135934367
4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one;4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one;nitric acid;2,2,2-trifluoroacetaldehyde
CID 159762975
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
2-[(4-bromophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
CID 19643963
4-hydroxy-2-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 680763
2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3959221
4-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135682232
2-methylsulfanyl-4-tetradecyl-1H-pyrimidin-6-one
CID 137079394
4-(3,4-dimethylphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025492
2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 123231189

Frequently Asked Questions

What is the IUPAC name of CID 70357325?
The IUPAC name of CID 70357325 (CID 70357325) is not available.
What is the SMILES notation for CID 70357325?
The canonical SMILES for CID 70357325 is CSc1nc(O)cc(=O)[nH]1.[K].[K].
What is the InChIKey of CID 70357325?
The InChIKey is FFABMPYKCPZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.2K/c1-10-5-6-3(8)2-4(9)7-5;;/h2H,1H3,(H2,6,7,8,9);;.
What are the key properties of CID 70357325?
CID 70357325 has a molecular weight of 236.38 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70357325 is sourced from PubChem (CID 70357325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).