1-amino-1-cyclopropylthiourea

C4H9N3S — CID 20849946

IUPAC1-amino-1-cyclopropylthiourea
SMILESNC(=S)N(N)C1CC1
InChIInChI=1S/C4H9N3S/c5-4(8)7(6)3-1-2-3/h3H,1-2,6H2,(H2,5,8)
InChIKeySNGNIHMWIKRDGI-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.43
Rot. Bonds1

About 1-amino-1-cyclopropylthiourea

1-amino-1-cyclopropylthiourea (PubChem CID 20849946) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is 1-amino-1-cyclopropylthiourea.

Molecular Properties

Compound Name1-amino-1-cyclopropylthiourea
PubChem CID20849946
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name1-amino-1-cyclopropylthiourea
SMILESNC(=S)N(N)C1CC1
InChIInChI=1S/C4H9N3S/c5-4(8)7(6)3-1-2-3/h3H,1-2,6H2,(H2,5,8)
InChIKeySNGNIHMWIKRDGI-UHFFFAOYSA-N
XLogP-0.43
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.43
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-cyclopropylthiourea?
The IUPAC name of 1-amino-1-cyclopropylthiourea (CID 20849946) is 1-amino-1-cyclopropylthiourea.
What is the SMILES notation for 1-amino-1-cyclopropylthiourea?
The canonical SMILES for 1-amino-1-cyclopropylthiourea is NC(=S)N(N)C1CC1.
What is the InChIKey of 1-amino-1-cyclopropylthiourea?
The InChIKey is SNGNIHMWIKRDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c5-4(8)7(6)3-1-2-3/h3H,1-2,6H2,(H2,5,8).
What are the key properties of 1-amino-1-cyclopropylthiourea?
1-amino-1-cyclopropylthiourea has a molecular weight of 131.20 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclopropylthiourea is sourced from PubChem (CID 20849946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).