2-(4-propan-2-ylsulfanylphenyl)aziridine

C11H15NS — CID 82469044

IUPAC2-(4-propan-2-ylsulfanylphenyl)aziridine
SMILESCC(C)Sc1ccc(C2CN2)cc1
InChIInChI=1S/C11H15NS/c1-8(2)13-10-5-3-9(4-6-10)11-7-12-11/h3-6,8,11-12H,7H2,1-2H3
InChIKeyNXBBRCQRIWKJIR-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-propan-2-ylsulfanylphenyl)aziridine

2-(4-propan-2-ylsulfanylphenyl)aziridine (PubChem CID 82469044) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)aziridine.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)aziridine
PubChem CID82469044
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)aziridine
SMILESCC(C)Sc1ccc(C2CN2)cc1
InChIInChI=1S/C11H15NS/c1-8(2)13-10-5-3-9(4-6-10)11-7-12-11/h3-6,8,11-12H,7H2,1-2H3
InChIKeyNXBBRCQRIWKJIR-UHFFFAOYSA-N
XLogP2.83
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane
CID 116863490
2-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carbonitrile
CID 116836984
4-(aziridin-2-yl)aniline
CID 87528388
ethane;(2S)-2-phenylaziridine
CID 145185749
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 116825316
(2R)-2-(4-methylsulfanylphenyl)azetidine
CID 130863298
(2S)-2-(4-propylphenyl)aziridine
CID 55263865
1-[4-(aziridin-2-yl)phenyl]ethanone
CID 138489509
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
(2R)-2-(4-ethylsulfanylphenyl)piperazine
CID 96847065
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
1-[cyclopropyl(difluoro)methyl]-4-propan-2-ylsulfanylbenzene
CID 116841718

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)aziridine?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)aziridine (CID 82469044) is 2-(4-propan-2-ylsulfanylphenyl)aziridine.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)aziridine?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)aziridine is CC(C)Sc1ccc(C2CN2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)aziridine?
The InChIKey is NXBBRCQRIWKJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8(2)13-10-5-3-9(4-6-10)11-7-12-11/h3-6,8,11-12H,7H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)aziridine?
2-(4-propan-2-ylsulfanylphenyl)aziridine has a molecular weight of 193.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)aziridine is sourced from PubChem (CID 82469044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).