1-butyl-1,3-dicyclopropylthiourea

C11H20N2S — CID 115579485

IUPAC1-butyl-1,3-dicyclopropylthiourea
SMILESCCCCN(C(=S)NC1CC1)C1CC1
InChIInChI=1S/C11H20N2S/c1-2-3-8-13(10-6-7-10)11(14)12-9-4-5-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyXNJJPVIZUPXXDS-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.29
Rot. Bonds5

About 1-butyl-1,3-dicyclopropylthiourea

1-butyl-1,3-dicyclopropylthiourea (PubChem CID 115579485) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-butyl-1,3-dicyclopropylthiourea.

Molecular Properties

Compound Name1-butyl-1,3-dicyclopropylthiourea
PubChem CID115579485
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-butyl-1,3-dicyclopropylthiourea
SMILESCCCCN(C(=S)NC1CC1)C1CC1
InChIInChI=1S/C11H20N2S/c1-2-3-8-13(10-6-7-10)11(14)12-9-4-5-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyXNJJPVIZUPXXDS-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1-cyclopropyl-1-propylthiourea
CID 115611465
1-butyl-1,3-dicyclopropylurea
CID 115579407
1-butyl-3-cyclopropyl-1-ethylthiourea
CID 115570266
1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
CID 115583562
1-butyl-1,3-bis(1,1-dioxothiolan-3-yl)thiourea
CID 4521203
3-cyclopropyl-1,1-dipropylthiourea
CID 19653025
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
CID 71893777
1-butyl-3-cyclopentyl-1-methylthiourea
CID 116507159
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
N-butyl-N-cyclopropylbut-2-enamide
CID 112726716
3-cyclopropyl-1-ethoxy-1-methylthiourea
CID 131222930
3-cyclopropyl-1-ethyl-1-propan-2-ylthiourea
CID 116507332

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,3-dicyclopropylthiourea?
The IUPAC name of 1-butyl-1,3-dicyclopropylthiourea (CID 115579485) is 1-butyl-1,3-dicyclopropylthiourea.
What is the SMILES notation for 1-butyl-1,3-dicyclopropylthiourea?
The canonical SMILES for 1-butyl-1,3-dicyclopropylthiourea is CCCCN(C(=S)NC1CC1)C1CC1.
What is the InChIKey of 1-butyl-1,3-dicyclopropylthiourea?
The InChIKey is XNJJPVIZUPXXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-3-8-13(10-6-7-10)11(14)12-9-4-5-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 1-butyl-1,3-dicyclopropylthiourea?
1-butyl-1,3-dicyclopropylthiourea has a molecular weight of 212.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,3-dicyclopropylthiourea is sourced from PubChem (CID 115579485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).