1-(3-cyclopropylpropyl)-3-propylthiourea

C10H20N2S — CID 115635620

IUPAC1-(3-cyclopropylpropyl)-3-propylthiourea
SMILESCCCNC(=S)NCCCC1CC1
InChIInChI=1S/C10H20N2S/c1-2-7-11-10(13)12-8-3-4-9-5-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyRXDWMLLVIRODEA-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.05
Rot. Bonds6

About 1-(3-cyclopropylpropyl)-3-propylthiourea

1-(3-cyclopropylpropyl)-3-propylthiourea (PubChem CID 115635620) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(3-cyclopropylpropyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(3-cyclopropylpropyl)-3-propylthiourea
PubChem CID115635620
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-(3-cyclopropylpropyl)-3-propylthiourea
SMILESCCCNC(=S)NCCCC1CC1
InChIInChI=1S/C10H20N2S/c1-2-7-11-10(13)12-8-3-4-9-5-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyRXDWMLLVIRODEA-UHFFFAOYSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopropylpropyl)-3-ethylthiourea
CID 115635630
1-butyl-3-[2-(4-methylcyclohexyl)ethyl]thiourea
CID 116508788
1-[(4-ethylcyclohexyl)methyl]-3-propylthiourea
CID 115594237
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
CID 115687449
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
1-[(1-methylpiperidin-4-yl)methyl]-3-propylthiourea
CID 115602001
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
4-cyclopropyl-N-propylbutan-1-amine
CID 57222613
1-(2-butoxyethyl)-3-propylthiourea
CID 115595496
1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea
CID 115624400
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
1-butyl-3-heptylthiourea
CID 19650868

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropyl)-3-propylthiourea?
The IUPAC name of 1-(3-cyclopropylpropyl)-3-propylthiourea (CID 115635620) is 1-(3-cyclopropylpropyl)-3-propylthiourea.
What is the SMILES notation for 1-(3-cyclopropylpropyl)-3-propylthiourea?
The canonical SMILES for 1-(3-cyclopropylpropyl)-3-propylthiourea is CCCNC(=S)NCCCC1CC1.
What is the InChIKey of 1-(3-cyclopropylpropyl)-3-propylthiourea?
The InChIKey is RXDWMLLVIRODEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-7-11-10(13)12-8-3-4-9-5-6-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-(3-cyclopropylpropyl)-3-propylthiourea?
1-(3-cyclopropylpropyl)-3-propylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropyl)-3-propylthiourea is sourced from PubChem (CID 115635620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).