CID 167408843

C9H11BrO2S — CID 167408843

IUPAC—
SMILES[CH]S(C)(O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H11BrO2S/c1-12-8-5-4-7(10)6-9(8)13(2,3)11/h2,4-6,11H,1,3H3
InChIKeyAWDISJDYLPEADP-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.39
Rot. Bonds2

About CID 167408843

CID 167408843 (PubChem CID 167408843) has the molecular formula C9H11BrO2S and a molecular weight of 263.16 g/mol.

Molecular Properties

Compound NameCID 167408843
PubChem CID167408843
Molecular FormulaC9H11BrO2S
Molecular Weight263.16 g/mol
Exact Mass261.97
IUPAC Name—
SMILES[CH]S(C)(O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H11BrO2S/c1-12-8-5-4-7(10)6-9(8)13(2,3)11/h2,4-6,11H,1,3H3
InChIKeyAWDISJDYLPEADP-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 167408843?
The IUPAC name of CID 167408843 (CID 167408843) is not available.
What is the SMILES notation for CID 167408843?
The canonical SMILES for CID 167408843 is [CH]S(C)(O)c1cc(Br)ccc1OC.
What is the InChIKey of CID 167408843?
The InChIKey is AWDISJDYLPEADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2S/c1-12-8-5-4-7(10)6-9(8)13(2,3)11/h2,4-6,11H,1,3H3.
What are the key properties of CID 167408843?
CID 167408843 has a molecular weight of 263.16 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167408843 is sourced from PubChem (CID 167408843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).