5-(2-bromophenyl)sulfanylpyrimidine

C10H7BrN2S — CID 115049680

IUPAC5-(2-bromophenyl)sulfanylpyrimidine
SMILESBrc1ccccc1Sc1cncnc1
InChIInChI=1S/C10H7BrN2S/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7H
InChIKeyNSZCKPAQWVEDGH-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.39
Rot. Bonds2

About 5-(2-bromophenyl)sulfanylpyrimidine

5-(2-bromophenyl)sulfanylpyrimidine (PubChem CID 115049680) has the molecular formula C10H7BrN2S and a molecular weight of 267.15 g/mol. Its IUPAC name is 5-(2-bromophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)sulfanylpyrimidine
PubChem CID115049680
Molecular FormulaC10H7BrN2S
Molecular Weight267.15 g/mol
Exact Mass265.95
IUPAC Name5-(2-bromophenyl)sulfanylpyrimidine
SMILESBrc1ccccc1Sc1cncnc1
InChIInChI=1S/C10H7BrN2S/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7H
InChIKeyNSZCKPAQWVEDGH-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)sulfanylpyrimidine?
The IUPAC name of 5-(2-bromophenyl)sulfanylpyrimidine (CID 115049680) is 5-(2-bromophenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)sulfanylpyrimidine?
The canonical SMILES for 5-(2-bromophenyl)sulfanylpyrimidine is Brc1ccccc1Sc1cncnc1.
What is the InChIKey of 5-(2-bromophenyl)sulfanylpyrimidine?
The InChIKey is NSZCKPAQWVEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2S/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7H.
What are the key properties of 5-(2-bromophenyl)sulfanylpyrimidine?
5-(2-bromophenyl)sulfanylpyrimidine has a molecular weight of 267.15 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)sulfanylpyrimidine is sourced from PubChem (CID 115049680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).