1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea

C9H11Cl2N3S — CID 8625286

IUPAC1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3S/c1-2-13-9(15)14-5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3,(H2,13,14,15)
InChIKeyWUAQPVDSNKESNT-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.88
Rot. Bonds2

About 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea

1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea (PubChem CID 8625286) has the molecular formula C9H11Cl2N3S and a molecular weight of 264.18 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea
PubChem CID8625286
Molecular FormulaC9H11Cl2N3S
Molecular Weight264.18 g/mol
Exact Mass263.01
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3S/c1-2-13-9(15)14-5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3,(H2,13,14,15)
InChIKeyWUAQPVDSNKESNT-UHFFFAOYSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(4-amino-3,5-dichlorophenyl)carbamothioylamino]butanoate
CID 9053925
1-(4-amino-3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)thiourea
CID 27000952
1-(3-aminophenyl)-3-ethylthiourea
CID 122416783
1-(3-chlorophenyl)-3-ethylthiourea
CID 872568
1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea
CID 166479239
3,5-bis(ethylcarbamothioylamino)benzoic acid
CID 91687121
5-(ethylcarbamothioylamino)benzene-1,3-dicarboxylic acid
CID 91687117
1-[2-chloro-4-(propylcarbamothioylamino)phenyl]-3-propylthiourea
CID 8668815
1-(3-chloro-4-fluorophenyl)-3-propylthiourea
CID 8618876
1-ethyl-3-(4-fluoro-3-methylphenyl)thiourea
CID 115610649
1-(3,5-dichlorophenyl)-3-pentylthiourea
CID 3716140
1-amino-3-(3,5-dichloro-4-fluorophenyl)thiourea
CID 51000156

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea (CID 8625286) is 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea is CCNC(=S)Nc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea?
The InChIKey is WUAQPVDSNKESNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3S/c1-2-13-9(15)14-5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea?
1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea has a molecular weight of 264.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea is sourced from PubChem (CID 8625286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).