[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol

C9H12BrNOS — CID 134514303

IUPAC[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol
SMILESCCNSc1ccc(CO)c(Br)c1
InChIInChI=1S/C9H12BrNOS/c1-2-11-13-8-4-3-7(6-12)9(10)5-8/h3-5,11-12H,2,6H2,1H3
InChIKeyFYFXRYFLXNJOSI-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.56
Rot. Bonds4

About [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol

[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol (PubChem CID 134514303) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol
PubChem CID134514303
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol
SMILESCCNSc1ccc(CO)c(Br)c1
InChIInChI=1S/C9H12BrNOS/c1-2-11-13-8-4-3-7(6-12)9(10)5-8/h3-5,11-12H,2,6H2,1H3
InChIKeyFYFXRYFLXNJOSI-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(hydroxymethyl)phenol
CID 54447662
N-[(2-bromo-4-phenylsulfanylphenyl)methyl]ethanamine
CID 114061062
2-bromo-1-ethyl-4-methylsulfanylbenzene
CID 91880744
3-(2-bromo-4-methylsulfanylphenyl)propan-1-ol
CID 154110714
N-(3-bromo-5-methylphenyl)sulfanylethanamine
CID 166983128
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
CID 91877676
[2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol
CID 174580782
[2-bromo-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155812949
2-bromo-4-(3-chlorophenyl)sulfanyl-1-(methoxymethoxymethyl)benzene;[2-bromo-4-(3-chlorophenyl)sulfanylphenyl]methanol
CID 160575030
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
3-[3-bromo-4-(hydroxymethyl)phenyl]propanenitrile
CID 130850533
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol?
The IUPAC name of [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol (CID 134514303) is [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol is CCNSc1ccc(CO)c(Br)c1.
What is the InChIKey of [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol?
The InChIKey is FYFXRYFLXNJOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-2-11-13-8-4-3-7(6-12)9(10)5-8/h3-5,11-12H,2,6H2,1H3.
What are the key properties of [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol?
[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol has a molecular weight of 262.17 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(ethylaminosulfanyl)phenyl]methanol is sourced from PubChem (CID 134514303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).