1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea

C12H8Cl3N3O2S — CID 2817468

IUPAC1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C12H8Cl3N3O2S/c13-6-4-7(14)10(8(15)5-6)16-12(21)18-17-11(19)9-2-1-3-20-9/h1-5H,(H,17,19)(H2,16,18,21)
InChIKeyULWDHKKSLPQFGZ-UHFFFAOYSA-N
MW364.64 g/mol
LogP3.87
Rot. Bonds2

About 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea

1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea (PubChem CID 2817468) has the molecular formula C12H8Cl3N3O2S and a molecular weight of 364.64 g/mol. Its IUPAC name is 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea
PubChem CID2817468
Molecular FormulaC12H8Cl3N3O2S
Molecular Weight364.64 g/mol
Exact Mass362.94
IUPAC Name1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C12H8Cl3N3O2S/c13-6-4-7(14)10(8(15)5-6)16-12(21)18-17-11(19)9-2-1-3-20-9/h1-5H,(H,17,19)(H2,16,18,21)
InChIKeyULWDHKKSLPQFGZ-UHFFFAOYSA-N
XLogP3.87
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N-[(2,4,6-trichlorophenyl)carbamothioyl]prop-2-enamide
CID 1040010
3-(furan-2-yl)-N-[(2,4,6-trichlorophenyl)carbamothioyl]prop-2-enamide
CID 1040009
3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
CID 82830924
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-(2,6-dibromo-4-chlorophenyl)furan-2-carboxamide
CID 4192583
N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 3495265
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5158593
N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 40612796
N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 57243648
N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57105287

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea?
The IUPAC name of 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea (CID 2817468) is 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea.
What is the SMILES notation for 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea?
The canonical SMILES for 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea is O=C(NNC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea?
The InChIKey is ULWDHKKSLPQFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O2S/c13-6-4-7(14)10(8(15)5-6)16-12(21)18-17-11(19)9-2-1-3-20-9/h1-5H,(H,17,19)(H2,16,18,21).
What are the key properties of 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea?
1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea has a molecular weight of 364.64 g/mol, XLogP of 3.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonylamino)-3-(2,4,6-trichlorophenyl)thiourea is sourced from PubChem (CID 2817468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).