1-amino-3-(2-ethylphenyl)thiourea

C9H13N3S — CID 2758894

IUPAC1-amino-3-(2-ethylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)NN
InChIInChI=1S/C9H13N3S/c1-2-7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChIKeyCVYAVYZOGZJQHT-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.41
Rot. Bonds2

About 1-amino-3-(2-ethylphenyl)thiourea

1-amino-3-(2-ethylphenyl)thiourea (PubChem CID 2758894) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-amino-3-(2-ethylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-ethylphenyl)thiourea
PubChem CID2758894
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-amino-3-(2-ethylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)NN
InChIInChI=1S/C9H13N3S/c1-2-7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChIKeyCVYAVYZOGZJQHT-UHFFFAOYSA-N
XLogP1.41
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-ethylphenyl)thiourea?
The IUPAC name of 1-amino-3-(2-ethylphenyl)thiourea (CID 2758894) is 1-amino-3-(2-ethylphenyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-ethylphenyl)thiourea?
The canonical SMILES for 1-amino-3-(2-ethylphenyl)thiourea is CCc1ccccc1NC(=S)NN.
What is the InChIKey of 1-amino-3-(2-ethylphenyl)thiourea?
The InChIKey is CVYAVYZOGZJQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,2,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(2-ethylphenyl)thiourea?
1-amino-3-(2-ethylphenyl)thiourea has a molecular weight of 195.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethylphenyl)thiourea is sourced from PubChem (CID 2758894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).