4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol

C19H15Br2NO2S2 — CID 10481539

IUPAC4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol
SMILESNc1cc(OCSc2ccccc2Br)c(O)cc1Sc1ccccc1Br
InChIInChI=1S/C19H15Br2NO2S2/c20-12-5-1-3-7-17(12)25-11-24-16-9-14(22)19(10-15(16)23)26-18-8-4-2-6-13(18)21/h1-10,23H,11,22H2
InChIKeyAFUAHVYWWYBXBN-UHFFFAOYSA-N
MW513.28 g/mol
LogP6.78
Rot. Bonds6

About 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol

4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol (PubChem CID 10481539) has the molecular formula C19H15Br2NO2S2 and a molecular weight of 513.28 g/mol. Its IUPAC name is 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol.

Molecular Properties

Compound Name4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol
PubChem CID10481539
Molecular FormulaC19H15Br2NO2S2
Molecular Weight513.28 g/mol
Exact Mass510.89
IUPAC Name4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol
SMILESNc1cc(OCSc2ccccc2Br)c(O)cc1Sc1ccccc1Br
InChIInChI=1S/C19H15Br2NO2S2/c20-12-5-1-3-7-17(12)25-11-24-16-9-14(22)19(10-15(16)23)26-18-8-4-2-6-13(18)21/h1-10,23H,11,22H2
InChIKeyAFUAHVYWWYBXBN-UHFFFAOYSA-N
XLogP6.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.28
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(2-Bromophenyl)sulfanyl-4,5-dimethoxyaniline
CID 83008385
5-(2-Aminophenyl)sulfanyl-2-[(2-aminophenyl)sulfanylmethoxy]-4-nitrophenol
CID 10047473
1-(2-Bromophenyl)sulfanyl-4-[(2-bromophenyl)sulfanylmethoxy]-5-methoxy-2-nitrobenzene
CID 10053454
N-[2-(2-bromophenyl)sulfanyl-5-[(2-bromophenyl)sulfanylmethoxy]-4-hydroxyphenyl]acetamide
CID 10076359
2-[(2-bromophenyl)sulfanylmethoxy]-3-methoxy-10H-phenothiazine
CID 10252975
4-Nitro-5-phenylsulfanyl-2-(phenylsulfanylmethoxy)phenol
CID 10340053
4-Methoxy-2-phenylsulfanyl-5-(phenylsulfanylmethoxy)aniline
CID 10361760
5-(2-Bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]-4-nitrophenol
CID 10414985
4-Amino-5-phenylsulfanyl-2-(phenylsulfanylmethoxy)phenol
CID 10428302
3-[(2-Bromophenyl)sulfanylmethoxy]-4-methoxyaniline
CID 10449894
2-(2-Bromophenyl)sulfanyl-5-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyaniline
CID 10482006
6-(2-Bromophenyl)sulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43345231

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol?
The IUPAC name of 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol (CID 10481539) is 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol.
What is the SMILES notation for 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol?
The canonical SMILES for 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol is Nc1cc(OCSc2ccccc2Br)c(O)cc1Sc1ccccc1Br.
What is the InChIKey of 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol?
The InChIKey is AFUAHVYWWYBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2NO2S2/c20-12-5-1-3-7-17(12)25-11-24-16-9-14(22)19(10-15(16)23)26-18-8-4-2-6-13(18)21/h1-10,23H,11,22H2.
What are the key properties of 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol?
4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol has a molecular weight of 513.28 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-bromophenyl)sulfanyl-2-[(2-bromophenyl)sulfanylmethoxy]phenol is sourced from PubChem (CID 10481539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).