3-(4-bromophenyl)sulfanylpropan-1-ol

C9H11BrOS — CID 43392834

IUPAC3-(4-bromophenyl)sulfanylpropan-1-ol
SMILESOCCCSc1ccc(Br)cc1
InChIInChI=1S/C9H11BrOS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2
InChIKeyRQMJZYLVSPXCFD-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.92
Rot. Bonds4

About 3-(4-bromophenyl)sulfanylpropan-1-ol

3-(4-bromophenyl)sulfanylpropan-1-ol (PubChem CID 43392834) has the molecular formula C9H11BrOS and a molecular weight of 247.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanylpropan-1-ol
PubChem CID43392834
Molecular FormulaC9H11BrOS
Molecular Weight247.16 g/mol
Exact Mass245.97
IUPAC Name3-(4-bromophenyl)sulfanylpropan-1-ol
SMILESOCCCSc1ccc(Br)cc1
InChIInChI=1S/C9H11BrOS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2
InChIKeyRQMJZYLVSPXCFD-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)sulfanylpropan-1-ol
CID 43299111
3-(4-bromophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 110902902
3-pyridin-4-ylsulfanylpropan-1-ol
CID 19079134
2-amino-6-(4-bromophenyl)sulfanyl-2-methylhexan-1-ol
CID 64818594
1-bromo-4-(3-phenylpropylsulfanyl)benzene
CID 68820454
1-bromo-4-propylsulfanylbenzene;hydrofluoride
CID 174332462
5-(4-bromophenyl)sulfanyl-2-methylpentan-2-amine
CID 3026385
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
3-(4-bromophenyl)sulfanylpropanenitrile
CID 14090121
3-[4-[(propan-2-ylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 66128342
4-[4-(3-hydroxypropylsulfanyl)phenyl]-4-oxobutanoic acid
CID 82165392
N'-[2-(4-bromophenyl)sulfanylethyl]ethane-1,2-diamine;dihydrochloride
CID 69273866

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanylpropan-1-ol?
The IUPAC name of 3-(4-bromophenyl)sulfanylpropan-1-ol (CID 43392834) is 3-(4-bromophenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(4-bromophenyl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(4-bromophenyl)sulfanylpropan-1-ol is OCCCSc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanylpropan-1-ol?
The InChIKey is RQMJZYLVSPXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrOS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2.
What are the key properties of 3-(4-bromophenyl)sulfanylpropan-1-ol?
3-(4-bromophenyl)sulfanylpropan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 43392834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).