2-phenylsulfanylpyrimidine

C10H8N2S — CID 11298411

IUPAC2-phenylsulfanylpyrimidine
SMILESc1ccc(Sc2ncccn2)cc1
InChIInChI=1S/C10H8N2S/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H
InChIKeyCHNZMLJFMJNPJO-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.63
Rot. Bonds2

About 2-phenylsulfanylpyrimidine

2-phenylsulfanylpyrimidine (PubChem CID 11298411) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name2-phenylsulfanylpyrimidine
PubChem CID11298411
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name2-phenylsulfanylpyrimidine
SMILESc1ccc(Sc2ncccn2)cc1
InChIInChI=1S/C10H8N2S/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H
InChIKeyCHNZMLJFMJNPJO-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylpyrimidine?
The IUPAC name of 2-phenylsulfanylpyrimidine (CID 11298411) is 2-phenylsulfanylpyrimidine.
What is the SMILES notation for 2-phenylsulfanylpyrimidine?
The canonical SMILES for 2-phenylsulfanylpyrimidine is c1ccc(Sc2ncccn2)cc1.
What is the InChIKey of 2-phenylsulfanylpyrimidine?
The InChIKey is CHNZMLJFMJNPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H.
What are the key properties of 2-phenylsulfanylpyrimidine?
2-phenylsulfanylpyrimidine has a molecular weight of 188.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylpyrimidine is sourced from PubChem (CID 11298411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).