1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea

C13H20N2OS — CID 115579636

IUPAC1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
SMILESCCCc1ccccc1NC(=S)NCCOC
InChIInChI=1S/C13H20N2OS/c1-3-6-11-7-4-5-8-12(11)15-13(17)14-9-10-16-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,14,15,17)
InChIKeyBRVCAXPQLWCLNZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.57
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea

1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea (PubChem CID 115579636) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
PubChem CID115579636
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
SMILESCCCc1ccccc1NC(=S)NCCOC
InChIInChI=1S/C13H20N2OS/c1-3-6-11-7-4-5-8-12(11)15-13(17)14-9-10-16-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,14,15,17)
InChIKeyBRVCAXPQLWCLNZ-UHFFFAOYSA-N
XLogP2.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
CID 102846832
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
CID 17322071
1-propan-2-yl-3-(2-propylphenyl)thiourea
CID 115579635
1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095
(2-propylphenyl)carbamodithioic acid
CID 87193127
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
1-(2-hydroxyphenyl)-3-propylthiourea
CID 127057453
2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 8560831
1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
CID 19711809
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8657463

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea (CID 115579636) is 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea is CCCc1ccccc1NC(=S)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea?
The InChIKey is BRVCAXPQLWCLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-6-11-7-4-5-8-12(11)15-13(17)14-9-10-16-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea?
1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea has a molecular weight of 252.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea is sourced from PubChem (CID 115579636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).