2-amino-2-(4-ethylphenyl)ethanethial

C10H13NS — CID 123767159

IUPAC2-amino-2-(4-ethylphenyl)ethanethial
SMILESCCc1ccc(C(N)C=S)cc1
InChIInChI=1S/C10H13NS/c1-2-8-3-5-9(6-4-8)10(11)7-12/h3-7,10H,2,11H2,1H3
InChIKeyYBYZGSIUQIOESE-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-2-(4-ethylphenyl)ethanethial

2-amino-2-(4-ethylphenyl)ethanethial (PubChem CID 123767159) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-amino-2-(4-ethylphenyl)ethanethial.

Molecular Properties

Compound Name2-amino-2-(4-ethylphenyl)ethanethial
PubChem CID123767159
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-amino-2-(4-ethylphenyl)ethanethial
SMILESCCc1ccc(C(N)C=S)cc1
InChIInChI=1S/C10H13NS/c1-2-8-3-5-9(6-4-8)10(11)7-12/h3-7,10H,2,11H2,1H3
InChIKeyYBYZGSIUQIOESE-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
chloro-(4-ethylphenyl)methanamine
CID 116947710
2-amino-2-(4-hydroxyphenyl)ethanethial
CID 54178257
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
(1R)-1-(4-ethylphenyl)but-3-en-1-amine;hydrochloride
CID 171211217
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethylphenyl)ethanethial?
The IUPAC name of 2-amino-2-(4-ethylphenyl)ethanethial (CID 123767159) is 2-amino-2-(4-ethylphenyl)ethanethial.
What is the SMILES notation for 2-amino-2-(4-ethylphenyl)ethanethial?
The canonical SMILES for 2-amino-2-(4-ethylphenyl)ethanethial is CCc1ccc(C(N)C=S)cc1.
What is the InChIKey of 2-amino-2-(4-ethylphenyl)ethanethial?
The InChIKey is YBYZGSIUQIOESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-2-8-3-5-9(6-4-8)10(11)7-12/h3-7,10H,2,11H2,1H3.
What are the key properties of 2-amino-2-(4-ethylphenyl)ethanethial?
2-amino-2-(4-ethylphenyl)ethanethial has a molecular weight of 179.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethylphenyl)ethanethial is sourced from PubChem (CID 123767159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).