1-(cyclobutylideneamino)-3-cyclopropylthiourea

C8H13N3S — CID 131041438

IUPAC1-(cyclobutylideneamino)-3-cyclopropylthiourea
SMILESS=C(NN=C1CCC1)NC1CC1
InChIInChI=1S/C8H13N3S/c12-8(9-6-4-5-6)11-10-7-2-1-3-7/h6H,1-5H2,(H2,9,11,12)
InChIKeyCRHKQOPMEBYVHI-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.15
Rot. Bonds2

About 1-(cyclobutylideneamino)-3-cyclopropylthiourea

1-(cyclobutylideneamino)-3-cyclopropylthiourea (PubChem CID 131041438) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(cyclobutylideneamino)-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-(cyclobutylideneamino)-3-cyclopropylthiourea
PubChem CID131041438
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-(cyclobutylideneamino)-3-cyclopropylthiourea
SMILESS=C(NN=C1CCC1)NC1CC1
InChIInChI=1S/C8H13N3S/c12-8(9-6-4-5-6)11-10-7-2-1-3-7/h6H,1-5H2,(H2,9,11,12)
InChIKeyCRHKQOPMEBYVHI-UHFFFAOYSA-N
XLogP1.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(cyclobutylideneamino)-3-cyclopropylthiourea?
The IUPAC name of 1-(cyclobutylideneamino)-3-cyclopropylthiourea (CID 131041438) is 1-(cyclobutylideneamino)-3-cyclopropylthiourea.
What is the SMILES notation for 1-(cyclobutylideneamino)-3-cyclopropylthiourea?
The canonical SMILES for 1-(cyclobutylideneamino)-3-cyclopropylthiourea is S=C(NN=C1CCC1)NC1CC1.
What is the InChIKey of 1-(cyclobutylideneamino)-3-cyclopropylthiourea?
The InChIKey is CRHKQOPMEBYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c12-8(9-6-4-5-6)11-10-7-2-1-3-7/h6H,1-5H2,(H2,9,11,12).
What are the key properties of 1-(cyclobutylideneamino)-3-cyclopropylthiourea?
1-(cyclobutylideneamino)-3-cyclopropylthiourea has a molecular weight of 183.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylideneamino)-3-cyclopropylthiourea is sourced from PubChem (CID 131041438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).