1-amino-3-anilinothiourea

C7H10N4S — CID 4602462

IUPAC1-amino-3-anilinothiourea
SMILESNNC(=S)NNc1ccccc1
InChIInChI=1S/C7H10N4S/c8-9-7(12)11-10-6-4-2-1-3-5-6/h1-5,10H,8H2,(H2,9,11,12)
InChIKeySUSBRIALKDOCCS-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.35
Rot. Bonds2

About 1-amino-3-anilinothiourea

1-amino-3-anilinothiourea (PubChem CID 4602462) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-amino-3-anilinothiourea.

Molecular Properties

Compound Name1-amino-3-anilinothiourea
PubChem CID4602462
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name1-amino-3-anilinothiourea
SMILESNNC(=S)NNc1ccccc1
InChIInChI=1S/C7H10N4S/c8-9-7(12)11-10-6-4-2-1-3-5-6/h1-5,10H,8H2,(H2,9,11,12)
InChIKeySUSBRIALKDOCCS-UHFFFAOYSA-N
XLogP0.35
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-anilinothiourea?
The IUPAC name of 1-amino-3-anilinothiourea (CID 4602462) is 1-amino-3-anilinothiourea.
What is the SMILES notation for 1-amino-3-anilinothiourea?
The canonical SMILES for 1-amino-3-anilinothiourea is NNC(=S)NNc1ccccc1.
What is the InChIKey of 1-amino-3-anilinothiourea?
The InChIKey is SUSBRIALKDOCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c8-9-7(12)11-10-6-4-2-1-3-5-6/h1-5,10H,8H2,(H2,9,11,12).
What are the key properties of 1-amino-3-anilinothiourea?
1-amino-3-anilinothiourea has a molecular weight of 182.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-anilinothiourea is sourced from PubChem (CID 4602462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).