1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea

C10H12Cl2N2OS — CID 8657463

IUPAC1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2OS/c1-15-6-5-13-10(16)14-9-7(11)3-2-4-8(9)12/h2-4H,5-6H2,1H3,(H2,13,14,16)
InChIKeyWPOXHCCMLHOULO-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.93
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea

1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea (PubChem CID 8657463) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
PubChem CID8657463
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2OS/c1-15-6-5-13-10(16)14-9-7(11)3-2-4-8(9)12/h2-4H,5-6H2,1H3,(H2,13,14,16)
InChIKeyWPOXHCCMLHOULO-UHFFFAOYSA-N
XLogP2.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.93
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-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2-methoxyethyl)thiourea
CID 19342765
1-(5-chloro-2-pyridinyl)-3-(2-methoxyethyl)thiourea
CID 19686299
1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8658308
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)thiourea
CID 8669388
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
CID 124749200
N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
CID 620497
N-[(2,6-dichlorophenyl)carbamothioyl]acetamide
CID 12952276
1-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyethyl)thiourea
CID 17374630

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea (CID 8657463) is 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is WPOXHCCMLHOULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c1-15-6-5-13-10(16)14-9-7(11)3-2-4-8(9)12/h2-4H,5-6H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 279.19 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 8657463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).