1-(2-methoxypropyl)-3-phenylthiourea

C11H16N2OS — CID 102697388

IUPAC1-(2-methoxypropyl)-3-phenylthiourea
SMILESCOC(C)CNC(=S)Nc1ccccc1
InChIInChI=1S/C11H16N2OS/c1-9(14-2)8-12-11(15)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,13,15)
InChIKeyOQKAPSOLIHMDNR-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.01
Rot. Bonds4

About 1-(2-methoxypropyl)-3-phenylthiourea

1-(2-methoxypropyl)-3-phenylthiourea (PubChem CID 102697388) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-methoxypropyl)-3-phenylthiourea
PubChem CID102697388
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-methoxypropyl)-3-phenylthiourea
SMILESCOC(C)CNC(=S)Nc1ccccc1
InChIInChI=1S/C11H16N2OS/c1-9(14-2)8-12-11(15)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,13,15)
InChIKeyOQKAPSOLIHMDNR-UHFFFAOYSA-N
XLogP2.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethoxyethyl)-3-phenylthiourea
CID 1474302
1-(4-bromophenyl)-3-(2-methoxypropyl)thiourea
CID 102700069
1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
1-(2,4-dimethylphenyl)-3-(2-methoxypropyl)thiourea
CID 102700047
1-(2,2-dimethoxyethyl)-3-(4-methylphenyl)thiourea
CID 881834
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
2,2,2-trifluoro-N-methyl-N-[(2S)-3-methyl-1-(phenylcarbamothioylamino)butan-2-yl]acetamide
CID 162536692
1-(3-chlorophenyl)-3-(2,2-dimethoxyethyl)thiourea
CID 881612
1-phenyl-3-[7-(phenylcarbamothioylamino)heptyl]thiourea
CID 3094104
1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea
CID 134471130
1-(4-tert-butylphenyl)-3-(2,2-diphenylethyl)thiourea
CID 3281911
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
CID 8656989

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-3-phenylthiourea?
The IUPAC name of 1-(2-methoxypropyl)-3-phenylthiourea (CID 102697388) is 1-(2-methoxypropyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-methoxypropyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-methoxypropyl)-3-phenylthiourea is COC(C)CNC(=S)Nc1ccccc1.
What is the InChIKey of 1-(2-methoxypropyl)-3-phenylthiourea?
The InChIKey is OQKAPSOLIHMDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9(14-2)8-12-11(15)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(2-methoxypropyl)-3-phenylthiourea?
1-(2-methoxypropyl)-3-phenylthiourea has a molecular weight of 224.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-3-phenylthiourea is sourced from PubChem (CID 102697388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).