1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea

C15H14Cl2N2OS — CID 19649544

IUPAC1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-20-13-8-3-2-5-10(13)9-18-15(21)19-12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H2,18,19,21)
InChIKeyCMXWVSKYYOAAGP-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.49
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea

1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea (PubChem CID 19649544) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
PubChem CID19649544
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-20-13-8-3-2-5-10(13)9-18-15(21)19-12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H2,18,19,21)
InChIKeyCMXWVSKYYOAAGP-UHFFFAOYSA-N
XLogP4.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.49
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-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
1-N-(2,3-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136513
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 899237
1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 3836543
1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 100607030
1-[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100563212
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591102
1-[[2-(benzylamino)-3-pyridinyl]methyl]-3-(2,3-dichlorophenyl)thiourea
CID 87505496
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea (CID 19649544) is 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea is COc1ccccc1CNC(=S)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The InChIKey is CMXWVSKYYOAAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-20-13-8-3-2-5-10(13)9-18-15(21)19-12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea has a molecular weight of 341.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 19649544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).