S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane

C13H24N2S — CID 142052900

IUPACS-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane
SMILESCC.CC.Cc1ccc(/C(N)=C/SN)cc1
InChIInChI=1S/C9H12N2S.2C2H6/c1-7-2-4-8(5-3-7)9(10)6-12-11;2*1-2/h2-6H,10-11H2,1H3;2*1-2H3/b9-6-;;
InChIKeyXEAHVORDGXQDEL-MPTFJDTDSA-N
MW240.42 g/mol
LogP3.91
Rot. Bonds2

About S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane

S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane (PubChem CID 142052900) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane.

Molecular Properties

Compound NameS-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane
PubChem CID142052900
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameS-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane
SMILESCC.CC.Cc1ccc(/C(N)=C/SN)cc1
InChIInChI=1S/C9H12N2S.2C2H6/c1-7-2-4-8(5-3-7)9(10)6-12-11;2*1-2/h2-6H,10-11H2,1H3;2*1-2H3/b9-6-;;
InChIKeyXEAHVORDGXQDEL-MPTFJDTDSA-N
XLogP3.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N',N'-dimethyl-1-(4-methylphenyl)ethene-1,2-diamine
CID 149258743
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 175983739
ethane;(Z)-1-[(4-methylphenyl)methylsulfanyl]prop-1-en-2-amine
CID 142254647
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
ethyl (Z)-3-amino-3-(4-methylphenyl)prop-2-enoate
CID 12021527
ethane;methanol;1,4-xylene
CID 171074418
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
(Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine
CID 164581205
(3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine
CID 134934129
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
bis((Z)-1-(4-methylphenyl)ethene-1,2-dithiolate);nickel
CID 59155738

Frequently Asked Questions

What is the IUPAC name of S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane?
The IUPAC name of S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane (CID 142052900) is S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane.
What is the SMILES notation for S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane?
The canonical SMILES for S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane is CC.CC.Cc1ccc(/C(N)=C/SN)cc1.
What is the InChIKey of S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane?
The InChIKey is XEAHVORDGXQDEL-MPTFJDTDSA-N. The full InChI is InChI=1S/C9H12N2S.2C2H6/c1-7-2-4-8(5-3-7)9(10)6-12-11;2*1-2/h2-6H,10-11H2,1H3;2*1-2H3/b9-6-;;.
What are the key properties of S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane?
S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane has a molecular weight of 240.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane is sourced from PubChem (CID 142052900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).