1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea

C11H15ClN2OS — CID 29175684

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C11H15ClN2OS/c1-4-13-11(16)14-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H2,13,14,16)
InChIKeySKJSOAJXOLWFQB-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea (PubChem CID 29175684) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea
PubChem CID29175684
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C11H15ClN2OS/c1-4-13-11(16)14-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H2,13,14,16)
InChIKeySKJSOAJXOLWFQB-UHFFFAOYSA-N
XLogP2.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.96
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

3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-methylphenyl)thiourea
CID 29175690
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-propoxybutyl)thiourea
CID 71589910
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-[2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]ethyl]acetamide
CID 3846042
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea (CID 29175684) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea is CCNC(=S)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea?
The InChIKey is SKJSOAJXOLWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-4-13-11(16)14-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea has a molecular weight of 258.77 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea is sourced from PubChem (CID 29175684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).