2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol

C10H11BrCl2O2S — CID 107662391

IUPAC2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol
SMILESSCCOCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2O2S/c11-7-5-9(13)10(6-8(7)12)15-2-1-14-3-4-16/h5-6,16H,1-4H2
InChIKeyPAWZTAKWDFBNOM-UHFFFAOYSA-N
MW346.07 g/mol
LogP4.08
Rot. Bonds6

About 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol

2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol (PubChem CID 107662391) has the molecular formula C10H11BrCl2O2S and a molecular weight of 346.07 g/mol. Its IUPAC name is 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol.

Molecular Properties

Compound Name2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol
PubChem CID107662391
Molecular FormulaC10H11BrCl2O2S
Molecular Weight346.07 g/mol
Exact Mass343.90
IUPAC Name2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol
SMILESSCCOCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2O2S/c11-7-5-9(13)10(6-8(7)12)15-2-1-14-3-4-16/h5-6,16H,1-4H2
InChIKeyPAWZTAKWDFBNOM-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene
CID 107657601
3-(4-bromo-2,5-dichlorophenoxy)propan-1-amine
CID 107656499
5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
CID 107656497
4-(4-bromo-2,5-dichlorophenoxy)butanoic acid
CID 22687414
2-[2-(4,5-dichloro-2-nitrophenoxy)ethoxy]ethanethiol
CID 107501777
1-bromo-2,5-dichloro-4-[(E)-4-chlorobut-2-enoxy]benzene
CID 107657621
1-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]piperazine
CID 107658281
5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 107661011
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-2-methylaniline
CID 107656068
1,4-dichloro-2,5-bis(3-chloropropoxy)benzene
CID 54022479
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
CID 106452990

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol?
The IUPAC name of 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol (CID 107662391) is 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol.
What is the SMILES notation for 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol?
The canonical SMILES for 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol is SCCOCCOc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol?
The InChIKey is PAWZTAKWDFBNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2O2S/c11-7-5-9(13)10(6-8(7)12)15-2-1-14-3-4-16/h5-6,16H,1-4H2.
What are the key properties of 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol?
2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol has a molecular weight of 346.07 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol is sourced from PubChem (CID 107662391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).