2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol

C14H15BrN2O3S — CID 166952079

IUPAC2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol
SMILESCOc1ncc(C(O)CSc2ccccc2Br)nc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-19-13-14(20-2)17-10(7-16-13)11(18)8-21-12-6-4-3-5-9(12)15/h3-7,11,18H,8H2,1-2H3
InChIKeyDGJZVIGSYAHPNK-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.08
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol

2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol (PubChem CID 166952079) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol
PubChem CID166952079
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol
SMILESCOc1ncc(C(O)CSc2ccccc2Br)nc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-19-13-14(20-2)17-10(7-16-13)11(18)8-21-12-6-4-3-5-9(12)15/h3-7,11,18H,8H2,1-2H3
InChIKeyDGJZVIGSYAHPNK-UHFFFAOYSA-N
XLogP3.08
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol (CID 166952079) is 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol is COc1ncc(C(O)CSc2ccccc2Br)nc1OC.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol?
The InChIKey is DGJZVIGSYAHPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-19-13-14(20-2)17-10(7-16-13)11(18)8-21-12-6-4-3-5-9(12)15/h3-7,11,18H,8H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol?
2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol has a molecular weight of 371.26 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol is sourced from PubChem (CID 166952079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).