1-ethyl-3-(2-methoxyphenyl)thiourea

C10H14N2OS — CID 686501

IUPAC1-ethyl-3-(2-methoxyphenyl)thiourea
SMILESCCNC(=S)Nc1ccccc1OC
InChIInChI=1S/C10H14N2OS/c1-3-11-10(14)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12,14)
InChIKeyMDCLIBDOUDZJMY-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.00
Rot. Bonds3

About 1-ethyl-3-(2-methoxyphenyl)thiourea

1-ethyl-3-(2-methoxyphenyl)thiourea (PubChem CID 686501) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyphenyl)thiourea
PubChem CID686501
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-ethyl-3-(2-methoxyphenyl)thiourea
SMILESCCNC(=S)Nc1ccccc1OC
InChIInChI=1S/C10H14N2OS/c1-3-11-10(14)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12,14)
InChIKeyMDCLIBDOUDZJMY-UHFFFAOYSA-N
XLogP2.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.00
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-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 797368
1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea
CID 2084266
1-(2-methoxyphenyl)-3-[1-[(2-methoxyphenyl)carbamothioylamino]pentan-3-yl]thiourea
CID 4536659
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
N'-(2-methoxyphenyl)propanedithioamide
CID 86107307
N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide
CID 88682130
1-(2-methoxyphenyl)-3-(2,2,2-trifluoroethylamino)thiourea
CID 134118831
1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea
CID 19327172
1-ethyl-3-(2-propan-2-ylphenyl)thiourea
CID 8626597

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-methoxyphenyl)thiourea (CID 686501) is 1-ethyl-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-methoxyphenyl)thiourea is CCNC(=S)Nc1ccccc1OC.
What is the InChIKey of 1-ethyl-3-(2-methoxyphenyl)thiourea?
The InChIKey is MDCLIBDOUDZJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-11-10(14)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(2-methoxyphenyl)thiourea?
1-ethyl-3-(2-methoxyphenyl)thiourea has a molecular weight of 210.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 686501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).