1-amino-3-tert-butylthiourea

C5H13N3S — CID 737275

IUPAC1-amino-3-tert-butylthiourea
SMILESCC(C)(C)NC(=S)NN
InChIInChI=1S/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)
InChIKeyZUWRCNZOBNETMU-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.12
Rot. Bonds

About 1-amino-3-tert-butylthiourea

1-amino-3-tert-butylthiourea (PubChem CID 737275) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-amino-3-tert-butylthiourea.

Molecular Properties

Compound Name1-amino-3-tert-butylthiourea
PubChem CID737275
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-amino-3-tert-butylthiourea
SMILESCC(C)(C)NC(=S)NN
InChIInChI=1S/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)
InChIKeyZUWRCNZOBNETMU-UHFFFAOYSA-N
XLogP0.12
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.12
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'}

Analyze 1-amino-3-tert-butylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-tert-butylthiourea?
The IUPAC name of 1-amino-3-tert-butylthiourea (CID 737275) is 1-amino-3-tert-butylthiourea.
What is the SMILES notation for 1-amino-3-tert-butylthiourea?
The canonical SMILES for 1-amino-3-tert-butylthiourea is CC(C)(C)NC(=S)NN.
What is the InChIKey of 1-amino-3-tert-butylthiourea?
The InChIKey is ZUWRCNZOBNETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9).
What are the key properties of 1-amino-3-tert-butylthiourea?
1-amino-3-tert-butylthiourea has a molecular weight of 147.25 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-tert-butylthiourea is sourced from PubChem (CID 737275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).