1-(3-methylpentan-3-yl)-3-propylthiourea

C10H22N2S — CID 106328407

IUPAC1-(3-methylpentan-3-yl)-3-propylthiourea
SMILESCCCNC(=S)NC(C)(CC)CC
InChIInChI=1S/C10H22N2S/c1-5-8-11-9(13)12-10(4,6-2)7-3/h5-8H2,1-4H3,(H2,11,12,13)
InChIKeyGGWYSTAIOXJGSJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.44
Rot. Bonds5

About 1-(3-methylpentan-3-yl)-3-propylthiourea

1-(3-methylpentan-3-yl)-3-propylthiourea (PubChem CID 106328407) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)-3-propylthiourea
PubChem CID106328407
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-(3-methylpentan-3-yl)-3-propylthiourea
SMILESCCCNC(=S)NC(C)(CC)CC
InChIInChI=1S/C10H22N2S/c1-5-8-11-9(13)12-10(4,6-2)7-3/h5-8H2,1-4H3,(H2,11,12,13)
InChIKeyGGWYSTAIOXJGSJ-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 17276889
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
1-(2-methyl-2-methylsulfonylpropyl)-3-propylthiourea
CID 115675105
1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652817
1-pentan-3-yl-3-propylthiourea
CID 19652880
1-(3-cyclopropylpropyl)-3-propylthiourea
CID 115635620
1-(4-iodophenyl)-3-(3-methylpentan-3-yl)thiourea
CID 134276561
1-[2-[bis[2-(tert-butylcarbamothioylamino)ethyl]amino]ethyl]-3-tert-butylthiourea
CID 102234614
1-[(2S)-2-hydroxypropyl]-3-propylthiourea
CID 131211878
1-(2-methylbutan-2-yl)-3-(2-phenylethyl)thiourea
CID 19652822
1-butyl-3-(3,3-dimethylbutyl)thiourea
CID 115580660
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)-3-propylthiourea?
The IUPAC name of 1-(3-methylpentan-3-yl)-3-propylthiourea (CID 106328407) is 1-(3-methylpentan-3-yl)-3-propylthiourea.
What is the SMILES notation for 1-(3-methylpentan-3-yl)-3-propylthiourea?
The canonical SMILES for 1-(3-methylpentan-3-yl)-3-propylthiourea is CCCNC(=S)NC(C)(CC)CC.
What is the InChIKey of 1-(3-methylpentan-3-yl)-3-propylthiourea?
The InChIKey is GGWYSTAIOXJGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-5-8-11-9(13)12-10(4,6-2)7-3/h5-8H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-(3-methylpentan-3-yl)-3-propylthiourea?
1-(3-methylpentan-3-yl)-3-propylthiourea has a molecular weight of 202.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)-3-propylthiourea is sourced from PubChem (CID 106328407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).