3-cyclopropyl-1,1-dipropylthiourea

C10H20N2S — CID 19653025

IUPAC3-cyclopropyl-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NC1CC1
InChIInChI=1S/C10H20N2S/c1-3-7-12(8-4-2)10(13)11-9-5-6-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyRLNQYMYAFQJWPV-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds5

About 3-cyclopropyl-1,1-dipropylthiourea

3-cyclopropyl-1,1-dipropylthiourea (PubChem CID 19653025) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-cyclopropyl-1,1-dipropylthiourea.

Molecular Properties

Compound Name3-cyclopropyl-1,1-dipropylthiourea
PubChem CID19653025
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-cyclopropyl-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NC1CC1
InChIInChI=1S/C10H20N2S/c1-3-7-12(8-4-2)10(13)11-9-5-6-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyRLNQYMYAFQJWPV-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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Related Compounds

1-butyl-3-cyclopropyl-1-ethylthiourea
CID 115570266
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
1-butyl-1,3-dicyclopropylthiourea
CID 115579485
3-cyclohexyl-1-cyclopropyl-1-propylthiourea
CID 115611465
3-cyclopropyl-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea
CID 7945176
1-butyl-3-cyclopentyl-1-methylthiourea
CID 116507159
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
CID 116508733
3-cyclopropyl-1-ethoxy-1-methylthiourea
CID 131222930
3-cyclopropyl-1-ethyl-1-propan-2-ylthiourea
CID 116507332
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
CID 71893777

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,1-dipropylthiourea?
The IUPAC name of 3-cyclopropyl-1,1-dipropylthiourea (CID 19653025) is 3-cyclopropyl-1,1-dipropylthiourea.
What is the SMILES notation for 3-cyclopropyl-1,1-dipropylthiourea?
The canonical SMILES for 3-cyclopropyl-1,1-dipropylthiourea is CCCN(CCC)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1,1-dipropylthiourea?
The InChIKey is RLNQYMYAFQJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-7-12(8-4-2)10(13)11-9-5-6-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 3-cyclopropyl-1,1-dipropylthiourea?
3-cyclopropyl-1,1-dipropylthiourea 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 3-cyclopropyl-1,1-dipropylthiourea is sourced from PubChem (CID 19653025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).