1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol

C11H12BrNOS — CID 14735591

IUPAC1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol
SMILESOC(CBr)CSc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12BrNOS/c12-6-9(14)7-15-11-5-8-3-1-2-4-10(8)13-11/h1-5,9,13-14H,6-7H2
InChIKeyJOSRDTWOPVVPRU-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.02
Rot. Bonds4

About 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol

1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol (PubChem CID 14735591) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol
PubChem CID14735591
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol
SMILESOC(CBr)CSc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12BrNOS/c12-6-9(14)7-15-11-5-8-3-1-2-4-10(8)13-11/h1-5,9,13-14H,6-7H2
InChIKeyJOSRDTWOPVVPRU-UHFFFAOYSA-N
XLogP3.02
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-(1H-indol-2-ylsulfanyl)butanoic acid
CID 82776961
methyl 2-(1H-indol-2-ylsulfanyl)acetate
CID 10727704
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
3-bromo-4-(1H-indol-2-ylsulfanylmethyl)benzoic acid
CID 102765934
1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone
CID 104752329
6-(1H-indol-2-ylsulfanyl)-2,2-dimethylhexanoic acid
CID 106714511
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol
CID 114370676
1-[2-(1H-indol-2-ylsulfanyl)phenyl]propan-1-one
CID 115994771
3-(1H-indol-2-ylsulfanyl)butanenitrile
CID 21397125
2-amino-1-(1H-indol-2-yl)ethanol
CID 82599143
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol (CID 14735591) is 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol is OC(CBr)CSc1cc2ccccc2[nH]1.
What is the InChIKey of 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol?
The InChIKey is JOSRDTWOPVVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c12-6-9(14)7-15-11-5-8-3-1-2-4-10(8)13-11/h1-5,9,13-14H,6-7H2.
What are the key properties of 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol?
1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol has a molecular weight of 286.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 14735591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).