1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol

C12H11BrOS2 — CID 82972633

IUPAC1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Br)cc1Sc1cccs1
InChIInChI=1S/C12H11BrOS2/c1-8(14)10-5-4-9(13)7-11(10)16-12-3-2-6-15-12/h2-8,14H,1H3
InChIKeyNGXNZGWUMAVZJX-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.72
Rot. Bonds3

About 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol

1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol (PubChem CID 82972633) has the molecular formula C12H11BrOS2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol
PubChem CID82972633
Molecular FormulaC12H11BrOS2
Molecular Weight315.26 g/mol
Exact Mass313.94
IUPAC Name1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Br)cc1Sc1cccs1
InChIInChI=1S/C12H11BrOS2/c1-8(14)10-5-4-9(13)7-11(10)16-12-3-2-6-15-12/h2-8,14H,1H3
InChIKeyNGXNZGWUMAVZJX-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol
CID 63814412
5-bromo-2-thiophen-2-ylsulfanylaniline
CID 28602794
1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol
CID 82972642
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 82973483
1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine
CID 63835546
1-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-bromophenyl]ethanol
CID 82973200
1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43200148
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-[4-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 82973683
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
CID 82973779

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol (CID 82972633) is 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol is CC(O)c1ccc(Br)cc1Sc1cccs1.
What is the InChIKey of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol?
The InChIKey is NGXNZGWUMAVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS2/c1-8(14)10-5-4-9(13)7-11(10)16-12-3-2-6-15-12/h2-8,14H,1H3.
What are the key properties of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol?
1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol has a molecular weight of 315.26 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 82972633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).