1-(2-aminophenyl)-3-phenylthiourea

C13H13N3S — CID 3034631

IUPAC1-(2-aminophenyl)-3-phenylthiourea
SMILESNc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C13H13N3S/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,14H2,(H2,15,16,17)
InChIKeyGZMPOVCWIYERNT-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.08
Rot. Bonds2

About 1-(2-aminophenyl)-3-phenylthiourea

1-(2-aminophenyl)-3-phenylthiourea (PubChem CID 3034631) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-phenylthiourea
PubChem CID3034631
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name1-(2-aminophenyl)-3-phenylthiourea
SMILESNc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C13H13N3S/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,14H2,(H2,15,16,17)
InChIKeyGZMPOVCWIYERNT-UHFFFAOYSA-N
XLogP3.08
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylthiourea
CID 676454
Diphenylthiourea
CID 700999
2-Mercaptobenzimidazole
CID 707035
1-Allyl-3-phenyl-2-thiourea
CID 1549745
N-Phenyl-o-phenylenediamine
CID 68297
1-Methyl-3-phenylthiourea
CID 698294
1,1-Diphenyl-2-thiourea
CID 3034143
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
1-Phenyl-1H-benzimidazol-2-YL hydrosulfide
CID 720852
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
4-Fluorophenylthiourea
CID 693061
1-Phenyl-3-propyl-2-thiourea
CID 2760408

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-phenylthiourea?
The IUPAC name of 1-(2-aminophenyl)-3-phenylthiourea (CID 3034631) is 1-(2-aminophenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-aminophenyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-aminophenyl)-3-phenylthiourea is Nc1ccccc1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-(2-aminophenyl)-3-phenylthiourea?
The InChIKey is GZMPOVCWIYERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,14H2,(H2,15,16,17).
What are the key properties of 1-(2-aminophenyl)-3-phenylthiourea?
1-(2-aminophenyl)-3-phenylthiourea has a molecular weight of 243.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-phenylthiourea is sourced from PubChem (CID 3034631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).