1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea

C10H12Cl2N2OS — CID 8658308

IUPAC1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2OS/c1-15-3-2-13-10(16)14-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H2,13,14,16)
InChIKeyAVXLGMZZJKDRFI-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.93
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea

1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea (PubChem CID 8658308) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
PubChem CID8658308
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2OS/c1-15-3-2-13-10(16)14-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H2,13,14,16)
InChIKeyAVXLGMZZJKDRFI-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-(3,5-dichlorophenyl)-3-pentylthiourea
CID 3716140
1-(3,5-dichlorophenyl)-3-(2,2-dimethoxyethyl)thiourea
CID 3862912
methyl 6-[(3,5-dichlorophenyl)carbamothioylamino]hexanoate
CID 8658320
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
CID 124749200
N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959609
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8657463
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)thiourea
CID 8669388
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyethyl)thiourea
CID 19678582
1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea
CID 17272351
1-(5-chloro-2-pyridinyl)-3-(2-methoxyethyl)thiourea
CID 19686299
1-(3,4-diethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8660360
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea (CID 8658308) is 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is AVXLGMZZJKDRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c1-15-3-2-13-10(16)14-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea?
1-(3,5-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-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 8658308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).