5-phenylsulfanylpyrimidine

C10H8N2S — CID 11275487

IUPAC5-phenylsulfanylpyrimidine
SMILESc1ccc(Sc2cncnc2)cc1
InChIInChI=1S/C10H8N2S/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H
InChIKeyIWHVZZOEJJTPCN-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.63
Rot. Bonds2

About 5-phenylsulfanylpyrimidine

5-phenylsulfanylpyrimidine (PubChem CID 11275487) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name5-phenylsulfanylpyrimidine
PubChem CID11275487
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name5-phenylsulfanylpyrimidine
SMILESc1ccc(Sc2cncnc2)cc1
InChIInChI=1S/C10H8N2S/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H
InChIKeyIWHVZZOEJJTPCN-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 5-phenylsulfanylpyrimidine?
The IUPAC name of 5-phenylsulfanylpyrimidine (CID 11275487) is 5-phenylsulfanylpyrimidine.
What is the SMILES notation for 5-phenylsulfanylpyrimidine?
The canonical SMILES for 5-phenylsulfanylpyrimidine is c1ccc(Sc2cncnc2)cc1.
What is the InChIKey of 5-phenylsulfanylpyrimidine?
The InChIKey is IWHVZZOEJJTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H.
What are the key properties of 5-phenylsulfanylpyrimidine?
5-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 5-phenylsulfanylpyrimidine is sourced from PubChem (CID 11275487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).