1-butyl-3-cyclopropyl-1-ethylthiourea

C10H20N2S — CID 115570266

IUPAC1-butyl-3-cyclopropyl-1-ethylthiourea
SMILESCCCCN(CC)C(=S)NC1CC1
InChIInChI=1S/C10H20N2S/c1-3-5-8-12(4-2)10(13)11-9-6-7-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyYZGNZUWFLJALHB-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds5

About 1-butyl-3-cyclopropyl-1-ethylthiourea

1-butyl-3-cyclopropyl-1-ethylthiourea (PubChem CID 115570266) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-butyl-3-cyclopropyl-1-ethylthiourea.

Molecular Properties

Compound Name1-butyl-3-cyclopropyl-1-ethylthiourea
PubChem CID115570266
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-butyl-3-cyclopropyl-1-ethylthiourea
SMILESCCCCN(CC)C(=S)NC1CC1
InChIInChI=1S/C10H20N2S/c1-3-5-8-12(4-2)10(13)11-9-6-7-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyYZGNZUWFLJALHB-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-cyclopropyl-1-ethylthiourea?
The IUPAC name of 1-butyl-3-cyclopropyl-1-ethylthiourea (CID 115570266) is 1-butyl-3-cyclopropyl-1-ethylthiourea.
What is the SMILES notation for 1-butyl-3-cyclopropyl-1-ethylthiourea?
The canonical SMILES for 1-butyl-3-cyclopropyl-1-ethylthiourea is CCCCN(CC)C(=S)NC1CC1.
What is the InChIKey of 1-butyl-3-cyclopropyl-1-ethylthiourea?
The InChIKey is YZGNZUWFLJALHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-5-8-12(4-2)10(13)11-9-6-7-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 1-butyl-3-cyclopropyl-1-ethylthiourea?
1-butyl-3-cyclopropyl-1-ethylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclopropyl-1-ethylthiourea is sourced from PubChem (CID 115570266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).