S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine

C17H21NS — CID 144804711

IUPACS-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine
SMILESCCCc1ccc(CC)c(-c2cccc(SN)c2)c1
InChIInChI=1S/C17H21NS/c1-3-6-13-9-10-14(4-2)17(11-13)15-7-5-8-16(12-15)19-18/h5,7-12H,3-4,6,18H2,1-2H3
InChIKeyVUNYQKAWZLYPGY-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.83
Rot. Bonds5

About S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine

S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine (PubChem CID 144804711) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine
PubChem CID144804711
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameS-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine
SMILESCCCc1ccc(CC)c(-c2cccc(SN)c2)c1
InChIInChI=1S/C17H21NS/c1-3-6-13-9-10-14(4-2)17(11-13)15-7-5-8-16(12-15)19-18/h5,7-12H,3-4,6,18H2,1-2H3
InChIKeyVUNYQKAWZLYPGY-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene
CID 146207633
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
1,2-diethyl-4-propylbenzene
CID 54363919
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
CID 166450114
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
2-ethyl-5-propylphenol
CID 522454
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
4-propyl-6-(3-propylphenyl)benzene-1,3-diol
CID 71009376
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene
CID 142247670
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508

Frequently Asked Questions

What is the IUPAC name of S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine?
The IUPAC name of S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine (CID 144804711) is S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine?
The canonical SMILES for S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine is CCCc1ccc(CC)c(-c2cccc(SN)c2)c1.
What is the InChIKey of S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine?
The InChIKey is VUNYQKAWZLYPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-6-13-9-10-14(4-2)17(11-13)15-7-5-8-16(12-15)19-18/h5,7-12H,3-4,6,18H2,1-2H3.
What are the key properties of S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine?
S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine has a molecular weight of 271.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[3-(2-ethyl-5-propylphenyl)phenyl]thiohydroxylamine is sourced from PubChem (CID 144804711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).