1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol

C10H11BrN4OS — CID 82973772

IUPAC1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Sc1nnnn1C
InChIInChI=1S/C10H11BrN4OS/c1-6(16)8-5-7(11)3-4-9(8)17-10-12-13-14-15(10)2/h3-6,16H,1-2H3
InChIKeyKRGHUECQTULVQP-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.18
Rot. Bonds3

About 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol

1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol (PubChem CID 82973772) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol
PubChem CID82973772
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Sc1nnnn1C
InChIInChI=1S/C10H11BrN4OS/c1-6(16)8-5-7(11)3-4-9(8)17-10-12-13-14-15(10)2/h3-6,16H,1-2H3
InChIKeyKRGHUECQTULVQP-UHFFFAOYSA-N
XLogP2.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol (CID 82973772) is 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol is CC(O)c1cc(Br)ccc1Sc1nnnn1C.
What is the InChIKey of 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol?
The InChIKey is KRGHUECQTULVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-6(16)8-5-7(11)3-4-9(8)17-10-12-13-14-15(10)2/h3-6,16H,1-2H3.
What are the key properties of 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol?
1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol has a molecular weight of 315.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 82973772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).