1-diazenyl-1-(4-methylphenyl)thiourea;ethane

C10H16N4S — CID 143271254

IUPAC1-diazenyl-1-(4-methylphenyl)thiourea;ethane
SMILESCC.[H]/N=N/N(C(N)=S)c1ccc(C)cc1
InChIInChI=1S/C8H10N4S.C2H6/c1-6-2-4-7(5-3-6)12(11-10)8(9)13;1-2/h2-5,10H,1H3,(H2,9,13);1-2H3/b11-10+;
InChIKeyPVTVGYVENRGRSY-ASTDGNLGSA-N
MW224.33 g/mol
LogP3.02
Rot. Bonds2

About 1-diazenyl-1-(4-methylphenyl)thiourea;ethane

1-diazenyl-1-(4-methylphenyl)thiourea;ethane (PubChem CID 143271254) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-diazenyl-1-(4-methylphenyl)thiourea;ethane.

Molecular Properties

Compound Name1-diazenyl-1-(4-methylphenyl)thiourea;ethane
PubChem CID143271254
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-diazenyl-1-(4-methylphenyl)thiourea;ethane
SMILESCC.[H]/N=N/N(C(N)=S)c1ccc(C)cc1
InChIInChI=1S/C8H10N4S.C2H6/c1-6-2-4-7(5-3-6)12(11-10)8(9)13;1-2/h2-5,10H,1H3,(H2,9,13);1-2H3/b11-10+;
InChIKeyPVTVGYVENRGRSY-ASTDGNLGSA-N
XLogP3.02
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-carbamimidoyl-1-(4-methylphenyl)guanidine;hydrochloride
CID 3027696
4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 89400085
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
ethane;methanol;1,4-xylene
CID 171074418
1-ethanimidoyl-1-(3-methylphenyl)thiourea
CID 21420650
3-ethylidene-1,1-bis(4-methylphenyl)guanidine
CID 57050474
N-ethyl-N-(4-methylphenyl)butanimidamide
CID 63177233
iron(3+);tris(methyl-(4-methylphenyl)carbamodithioic acid)
CID 50909601
ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
CID 3044299
5-(N,4-dimethylanilino)pyridine-2-carbothioamide
CID 115488502
(4-methylphenyl) carbamimidate
CID 44562278

Frequently Asked Questions

What is the IUPAC name of 1-diazenyl-1-(4-methylphenyl)thiourea;ethane?
The IUPAC name of 1-diazenyl-1-(4-methylphenyl)thiourea;ethane (CID 143271254) is 1-diazenyl-1-(4-methylphenyl)thiourea;ethane.
What is the SMILES notation for 1-diazenyl-1-(4-methylphenyl)thiourea;ethane?
The canonical SMILES for 1-diazenyl-1-(4-methylphenyl)thiourea;ethane is CC.[H]/N=N/N(C(N)=S)c1ccc(C)cc1.
What is the InChIKey of 1-diazenyl-1-(4-methylphenyl)thiourea;ethane?
The InChIKey is PVTVGYVENRGRSY-ASTDGNLGSA-N. The full InChI is InChI=1S/C8H10N4S.C2H6/c1-6-2-4-7(5-3-6)12(11-10)8(9)13;1-2/h2-5,10H,1H3,(H2,9,13);1-2H3/b11-10+;.
What are the key properties of 1-diazenyl-1-(4-methylphenyl)thiourea;ethane?
1-diazenyl-1-(4-methylphenyl)thiourea;ethane has a molecular weight of 224.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-1-(4-methylphenyl)thiourea;ethane is sourced from PubChem (CID 143271254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).