4-(4-bromophenyl)sulfanyl-2-ethylaniline

C14H14BrNS — CID 91877338

IUPAC4-(4-bromophenyl)sulfanyl-2-ethylaniline
SMILESCCc1cc(Sc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C14H14BrNS/c1-2-10-9-13(7-8-14(10)16)17-12-5-3-11(15)4-6-12/h3-9H,2,16H2,1H3
InChIKeyURUCXKRDIYOVFO-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.74
Rot. Bonds3

About 4-(4-bromophenyl)sulfanyl-2-ethylaniline

4-(4-bromophenyl)sulfanyl-2-ethylaniline (PubChem CID 91877338) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfanyl-2-ethylaniline.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfanyl-2-ethylaniline
PubChem CID91877338
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name4-(4-bromophenyl)sulfanyl-2-ethylaniline
SMILESCCc1cc(Sc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C14H14BrNS/c1-2-10-9-13(7-8-14(10)16)17-12-5-3-11(15)4-6-12/h3-9H,2,16H2,1H3
InChIKeyURUCXKRDIYOVFO-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.74
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-bromophenyl)sulfanyl-2-ethyl-1-iodobenzene
CID 91877189
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
CID 91877676
2-[5-(4-bromophenyl)sulfanyl-2-ethylphenyl]acetic acid
CID 91877682
4-[4-[4-(4-amino-3-ethylphenoxy)phenyl]sulfanylphenoxy]-2-ethylaniline
CID 139713087
2-amino-5-(4-bromophenyl)sulfanylbenzoic acid
CID 60986687
2-[5-(4-bromophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
CID 91877621
4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine
CID 91880178
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63819825
4-(4-bromophenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 21434128
2-amino-5-(4-ethylphenyl)sulfanylbenzoic acid
CID 91880175
diethyl 4-(4-bromophenyl)sulfanylbenzene-1,2-dicarboxylate
CID 91877564
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfanyl-2-ethylaniline?
The IUPAC name of 4-(4-bromophenyl)sulfanyl-2-ethylaniline (CID 91877338) is 4-(4-bromophenyl)sulfanyl-2-ethylaniline.
What is the SMILES notation for 4-(4-bromophenyl)sulfanyl-2-ethylaniline?
The canonical SMILES for 4-(4-bromophenyl)sulfanyl-2-ethylaniline is CCc1cc(Sc2ccc(Br)cc2)ccc1N.
What is the InChIKey of 4-(4-bromophenyl)sulfanyl-2-ethylaniline?
The InChIKey is URUCXKRDIYOVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-2-10-9-13(7-8-14(10)16)17-12-5-3-11(15)4-6-12/h3-9H,2,16H2,1H3.
What are the key properties of 4-(4-bromophenyl)sulfanyl-2-ethylaniline?
4-(4-bromophenyl)sulfanyl-2-ethylaniline has a molecular weight of 308.24 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfanyl-2-ethylaniline is sourced from PubChem (CID 91877338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).