1-amino-1-(2-ethyl-6-methylphenyl)thiourea

C10H15N3S — CID 20849979

IUPAC1-amino-1-(2-ethyl-6-methylphenyl)thiourea
SMILESCCc1cccc(C)c1N(N)C(N)=S
InChIInChI=1S/C10H15N3S/c1-3-8-6-4-5-7(2)9(8)13(12)10(11)14/h4-6H,3,12H2,1-2H3,(H2,11,14)
InChIKeyLOMOJWLAPUSBLK-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.48
Rot. Bonds2

About 1-amino-1-(2-ethyl-6-methylphenyl)thiourea

1-amino-1-(2-ethyl-6-methylphenyl)thiourea (PubChem CID 20849979) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-amino-1-(2-ethyl-6-methylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(2-ethyl-6-methylphenyl)thiourea
PubChem CID20849979
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-amino-1-(2-ethyl-6-methylphenyl)thiourea
SMILESCCc1cccc(C)c1N(N)C(N)=S
InChIInChI=1S/C10H15N3S/c1-3-8-6-4-5-7(2)9(8)13(12)10(11)14/h4-6H,3,12H2,1-2H3,(H2,11,14)
InChIKeyLOMOJWLAPUSBLK-UHFFFAOYSA-N
XLogP1.48
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea
CID 175345142
2-(2-ethyl-6-methylphenyl)ethanethioamide
CID 149269494
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
3-amino-N-(2-ethyl-6-methylphenyl)-N-methylpropanamide
CID 28795015
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid
CID 15842091
1-(2,6-dimethylphenyl)-1-ethylhydrazine
CID 142488614
N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide
CID 90701273
2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
CID 22900130
1-(2,6-diethylphenyl)-1-[(5-methylfuran-2-carbonyl)amino]thiourea
CID 135341183
ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate
CID 70505326
2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline
CID 57083438
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 24697035

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-ethyl-6-methylphenyl)thiourea?
The IUPAC name of 1-amino-1-(2-ethyl-6-methylphenyl)thiourea (CID 20849979) is 1-amino-1-(2-ethyl-6-methylphenyl)thiourea.
What is the SMILES notation for 1-amino-1-(2-ethyl-6-methylphenyl)thiourea?
The canonical SMILES for 1-amino-1-(2-ethyl-6-methylphenyl)thiourea is CCc1cccc(C)c1N(N)C(N)=S.
What is the InChIKey of 1-amino-1-(2-ethyl-6-methylphenyl)thiourea?
The InChIKey is LOMOJWLAPUSBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-8-6-4-5-7(2)9(8)13(12)10(11)14/h4-6H,3,12H2,1-2H3,(H2,11,14).
What are the key properties of 1-amino-1-(2-ethyl-6-methylphenyl)thiourea?
1-amino-1-(2-ethyl-6-methylphenyl)thiourea has a molecular weight of 209.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-ethyl-6-methylphenyl)thiourea is sourced from PubChem (CID 20849979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).