2-sulfanyloxypyrimidine

C4H4N2OS — CID 19387748

IUPAC2-sulfanyloxypyrimidine
SMILESSOc1ncccn1
InChIInChI=1S/C4H4N2OS/c8-7-4-5-2-1-3-6-4/h1-3,8H
InChIKeyXRGIZVRWMOKBSY-UHFFFAOYSA-N
MW128.16 g/mol
LogP0.70
Rot. Bonds1

About 2-sulfanyloxypyrimidine

2-sulfanyloxypyrimidine (PubChem CID 19387748) has the molecular formula C4H4N2OS and a molecular weight of 128.16 g/mol. Its IUPAC name is 2-sulfanyloxypyrimidine.

Molecular Properties

Compound Name2-sulfanyloxypyrimidine
PubChem CID19387748
Molecular FormulaC4H4N2OS
Molecular Weight128.16 g/mol
Exact Mass128.00
IUPAC Name2-sulfanyloxypyrimidine
SMILESSOc1ncccn1
InChIInChI=1S/C4H4N2OS/c8-7-4-5-2-1-3-6-4/h1-3,8H
InChIKeyXRGIZVRWMOKBSY-UHFFFAOYSA-N
XLogP0.70
TPSA35.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyrimidin-2-yloxyethoxy)pyrimidine
CID 172699862
3-pyrimidin-2-yloxypropan-1-ol
CID 119093000
chloro-dimethyl-(pyrimidin-2-yloxymethyl)silane
CID 140798850
2-(trifluoromethoxy)pyrimidine
CID 23221705
2-methyl-1-pyrimidin-2-yloxypropan-2-amine
CID 64536005
pyrimidin-2-ylmethanol
CID 2763024
ethane;2-propan-2-yloxypyrimidine
CID 159788973
2-(1,1-difluoroprop-2-ynoxy)pyrimidine
CID 57041713
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
ethane;pyrimidin-2-ylmethanol
CID 143639944
2-(difluoromethoxymethyl)pyrimidine
CID 123724255
2-(ethylperoxymethyl)pyrimidine
CID 89164584

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyloxypyrimidine?
The IUPAC name of 2-sulfanyloxypyrimidine (CID 19387748) is 2-sulfanyloxypyrimidine.
What is the SMILES notation for 2-sulfanyloxypyrimidine?
The canonical SMILES for 2-sulfanyloxypyrimidine is SOc1ncccn1.
What is the InChIKey of 2-sulfanyloxypyrimidine?
The InChIKey is XRGIZVRWMOKBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS/c8-7-4-5-2-1-3-6-4/h1-3,8H.
What are the key properties of 2-sulfanyloxypyrimidine?
2-sulfanyloxypyrimidine has a molecular weight of 128.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyloxypyrimidine is sourced from PubChem (CID 19387748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).