5-ethyl-2-(4-iodophenyl)sulfanylaniline

C14H14INS — CID 91878146

IUPAC5-ethyl-2-(4-iodophenyl)sulfanylaniline
SMILESCCc1ccc(Sc2ccc(I)cc2)c(N)c1
InChIInChI=1S/C14H14INS/c1-2-10-3-8-14(13(16)9-10)17-12-6-4-11(15)5-7-12/h3-9H,2,16H2,1H3
InChIKeyLIEINDUCNBPNNS-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.59
Rot. Bonds3

About 5-ethyl-2-(4-iodophenyl)sulfanylaniline

5-ethyl-2-(4-iodophenyl)sulfanylaniline (PubChem CID 91878146) has the molecular formula C14H14INS and a molecular weight of 355.24 g/mol. Its IUPAC name is 5-ethyl-2-(4-iodophenyl)sulfanylaniline.

Molecular Properties

Compound Name5-ethyl-2-(4-iodophenyl)sulfanylaniline
PubChem CID91878146
Molecular FormulaC14H14INS
Molecular Weight355.24 g/mol
Exact Mass354.99
IUPAC Name5-ethyl-2-(4-iodophenyl)sulfanylaniline
SMILESCCc1ccc(Sc2ccc(I)cc2)c(N)c1
InChIInChI=1S/C14H14INS/c1-2-10-3-8-14(13(16)9-10)17-12-6-4-11(15)5-7-12/h3-9H,2,16H2,1H3
InChIKeyLIEINDUCNBPNNS-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene
CID 91878147
5-chloro-2-(4-ethylphenyl)sulfanylaniline
CID 91877108
5-ethyl-2-(4-iodophenyl)sulfanylbenzonitrile
CID 91878144
ethyl 3-amino-4-(4-iodophenyl)sulfanylbenzoate
CID 91878089
3-amino-4-(4-iodophenyl)sulfanylphenol
CID 91879548
4-(4-ethylphenyl)sulfanyl-3-iodoaniline
CID 91880194
2-(4-tert-butylphenyl)sulfanyl-5-iodoaniline
CID 66081770
4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine
CID 91880178
5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline
CID 11346324
4-(2,4-diethylphenyl)sulfanylphenol
CID 91879872
4-(2-chloro-4-ethylphenyl)sulfanylphenol
CID 91879878
4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
CID 91879142

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-iodophenyl)sulfanylaniline?
The IUPAC name of 5-ethyl-2-(4-iodophenyl)sulfanylaniline (CID 91878146) is 5-ethyl-2-(4-iodophenyl)sulfanylaniline.
What is the SMILES notation for 5-ethyl-2-(4-iodophenyl)sulfanylaniline?
The canonical SMILES for 5-ethyl-2-(4-iodophenyl)sulfanylaniline is CCc1ccc(Sc2ccc(I)cc2)c(N)c1.
What is the InChIKey of 5-ethyl-2-(4-iodophenyl)sulfanylaniline?
The InChIKey is LIEINDUCNBPNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INS/c1-2-10-3-8-14(13(16)9-10)17-12-6-4-11(15)5-7-12/h3-9H,2,16H2,1H3.
What are the key properties of 5-ethyl-2-(4-iodophenyl)sulfanylaniline?
5-ethyl-2-(4-iodophenyl)sulfanylaniline has a molecular weight of 355.24 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-iodophenyl)sulfanylaniline is sourced from PubChem (CID 91878146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).