1-amino-1-propan-2-ylthiourea

C4H11N3S — CID 20847906

IUPAC1-amino-1-propan-2-ylthiourea
SMILESCC(C)N(N)C(N)=S
InChIInChI=1S/C4H11N3S/c1-3(2)7(6)4(5)8/h3H,6H2,1-2H3,(H2,5,8)
InChIKeyINWOSDHDABNVFN-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.19
Rot. Bonds1

About 1-amino-1-propan-2-ylthiourea

1-amino-1-propan-2-ylthiourea (PubChem CID 20847906) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-amino-1-propan-2-ylthiourea.

Molecular Properties

Compound Name1-amino-1-propan-2-ylthiourea
PubChem CID20847906
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name1-amino-1-propan-2-ylthiourea
SMILESCC(C)N(N)C(N)=S
InChIInChI=1S/C4H11N3S/c1-3(2)7(6)4(5)8/h3H,6H2,1-2H3,(H2,5,8)
InChIKeyINWOSDHDABNVFN-UHFFFAOYSA-N
XLogP-0.19
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-propan-2-ylthiourea?
The IUPAC name of 1-amino-1-propan-2-ylthiourea (CID 20847906) is 1-amino-1-propan-2-ylthiourea.
What is the SMILES notation for 1-amino-1-propan-2-ylthiourea?
The canonical SMILES for 1-amino-1-propan-2-ylthiourea is CC(C)N(N)C(N)=S.
What is the InChIKey of 1-amino-1-propan-2-ylthiourea?
The InChIKey is INWOSDHDABNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-3(2)7(6)4(5)8/h3H,6H2,1-2H3,(H2,5,8).
What are the key properties of 1-amino-1-propan-2-ylthiourea?
1-amino-1-propan-2-ylthiourea has a molecular weight of 133.22 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-propan-2-ylthiourea is sourced from PubChem (CID 20847906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).