1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol

C10H14BrNOS — CID 79533607

IUPAC1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol
SMILESCCC(O)CSc1cc(Br)ccc1N
InChIInChI=1S/C10H14BrNOS/c1-2-8(13)6-14-10-5-7(11)3-4-9(10)12/h3-5,8,13H,2,6,12H2,1H3
InChIKeyFRAXIJVSHSGJQW-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol

1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol (PubChem CID 79533607) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol
PubChem CID79533607
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol
SMILESCCC(O)CSc1cc(Br)ccc1N
InChIInChI=1S/C10H14BrNOS/c1-2-8(13)6-14-10-5-7(11)3-4-9(10)12/h3-5,8,13H,2,6,12H2,1H3
InChIKeyFRAXIJVSHSGJQW-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991017
(2-amino-5-bromophenyl)sulfanylmethyl-trifluoroboranuide
CID 79532884
2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81133461
3-(2-amino-5-bromophenyl)sulfanyl-2-phenylpropanoic acid
CID 79532878
4-bromo-2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 79533903
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
4-bromo-2-(2-methylsulfonylethylsulfanyl)aniline
CID 65342550
4-bromo-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]aniline
CID 79533025
butyl 2-(2-amino-5-bromophenyl)sulfanylacetate
CID 79533584
4-(2-amino-5-bromophenyl)sulfanyl-2-ethylbut-2-enoic acid
CID 79532965
4-bromo-2-[2-(propan-2-ylamino)ethylsulfanyl]aniline
CID 79533141
4-amino-3-(2,3-dihydroxypropylsulfanyl)-N-ethylbenzamide
CID 79682265

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol?
The IUPAC name of 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol (CID 79533607) is 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol is CCC(O)CSc1cc(Br)ccc1N.
What is the InChIKey of 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol?
The InChIKey is FRAXIJVSHSGJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-2-8(13)6-14-10-5-7(11)3-4-9(10)12/h3-5,8,13H,2,6,12H2,1H3.
What are the key properties of 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol?
1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol has a molecular weight of 276.20 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 79533607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).