1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea

C10H13ClN2OS — CID 2292238

IUPAC1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-14-7-6-12-10(15)13-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H2,12,13,15)
InChIKeyCDMQKHKUZCVSDR-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.27
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea

1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea (PubChem CID 2292238) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea
PubChem CID2292238
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-14-7-6-12-10(15)13-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H2,12,13,15)
InChIKeyCDMQKHKUZCVSDR-UHFFFAOYSA-N
XLogP2.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.27
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

3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea
CID 2731043
1-(2-Chlorophenyl)imidazoline-2-thione
CID 2757789
1-(3-Chlorophenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2877030
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
Thiourea, N-(2-(ethenyloxy)ethyl)-N'-phenyl-
CID 3067952
1-(2-Chlorophenyl)-3-phenyl-2-thiourea
CID 698358
N-(4-chloro-2-fluorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 714364
1-(2-Chlorophenyl)-3-cycloheptylthiourea
CID 972514
1-(3-Chlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 1592843
3-(2-Methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
CID 5176938
N-(3-chlorophenyl)morpholine-4-carbothioamide
CID 876893
1-(3,4-Dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 1760514

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea (CID 2292238) is 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is CDMQKHKUZCVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-14-7-6-12-10(15)13-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H2,12,13,15).
What are the key properties of 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea?
1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 244.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 2292238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).