4-(4-bromophenyl)sulfanylaniline

C12H10BrNS — CID 1486238

IUPAC4-(4-bromophenyl)sulfanylaniline
SMILESNc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C12H10BrNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKeyQTWFAGQWNPNBFR-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.18
Rot. Bonds2

About 4-(4-bromophenyl)sulfanylaniline

4-(4-bromophenyl)sulfanylaniline (PubChem CID 1486238) has the molecular formula C12H10BrNS and a molecular weight of 280.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfanylaniline.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfanylaniline
PubChem CID1486238
Molecular FormulaC12H10BrNS
Molecular Weight280.19 g/mol
Exact Mass278.97
IUPAC Name4-(4-bromophenyl)sulfanylaniline
SMILESNc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C12H10BrNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKeyQTWFAGQWNPNBFR-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Thiodianiline
CID 8765
4-(Phenylthio)aniline
CID 96081
4-(4-Bromobenzene-1-sulfonyl)aniline
CID 246562
(4-Bromophenyl)(4-nitrophenyl)sulfane
CID 288462
4-[(4-Fluorophenyl)sulfanyl]aniline
CID 2774740
2-Bromo-4-thiocyanatoaniline
CID 3812421
2-[(2-Bromophenyl)sulfanyl]aniline
CID 12494174
5-Bromo-2-(methylsulfanyl)aniline
CID 43306129
3-Bromo-4-(methylsulfanyl)aniline
CID 61712476
4-[(3,5-Dibromophenyl)methylsulfanyl]aniline
CID 54586603
Benzenamine, 4,4'-thiobis-, hydrochloride (1:2)
CID 6452609
4-[(4-Bromophenyl)sulfanyl]aniline hydrochloride
CID 16241923

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfanylaniline?
The IUPAC name of 4-(4-bromophenyl)sulfanylaniline (CID 1486238) is 4-(4-bromophenyl)sulfanylaniline.
What is the SMILES notation for 4-(4-bromophenyl)sulfanylaniline?
The canonical SMILES for 4-(4-bromophenyl)sulfanylaniline is Nc1ccc(Sc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfanylaniline?
The InChIKey is QTWFAGQWNPNBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2.
What are the key properties of 4-(4-bromophenyl)sulfanylaniline?
4-(4-bromophenyl)sulfanylaniline has a molecular weight of 280.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfanylaniline is sourced from PubChem (CID 1486238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).