S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine

C10H16N2S — CID 143713832

IUPACS-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine
SMILESCCNCCc1ccc(SN)cc1
InChIInChI=1S/C10H16N2S/c1-2-12-8-7-9-3-5-10(13-11)6-4-9/h3-6,12H,2,7-8,11H2,1H3
InChIKeyWJOFZTQRONAGKF-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.80
Rot. Bonds5

About S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine

S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine (PubChem CID 143713832) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine
PubChem CID143713832
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameS-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine
SMILESCCNCCc1ccc(SN)cc1
InChIInChI=1S/C10H16N2S/c1-2-12-8-7-9-3-5-10(13-11)6-4-9/h3-6,12H,2,7-8,11H2,1H3
InChIKeyWJOFZTQRONAGKF-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[2-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 115206026
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
[2-(4-methylsulfanylphenyl)ethylamino]methanethiol
CID 115228282
2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride
CID 157296462
2-[2-(4-ethylsulfanylphenyl)ethylamino]acetonitrile
CID 115131259
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185

Frequently Asked Questions

What is the IUPAC name of S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine?
The IUPAC name of S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine (CID 143713832) is S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine is CCNCCc1ccc(SN)cc1.
What is the InChIKey of S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine?
The InChIKey is WJOFZTQRONAGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-12-8-7-9-3-5-10(13-11)6-4-9/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine?
S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine has a molecular weight of 196.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine is sourced from PubChem (CID 143713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).