1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea

C105H111Cl11F6N16O8S8 — CID 173222521

IUPAC1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
SMILESCC(C)(C)CC(C)(C)NC(=S)Nc1ccc(O)c(Cl)c1.CC(C)(C)NC(=S)Nc1ccc(O)c(Cl)c1.CC(C)NC(=S)Nc1cc(Cl)ccc1O.Oc1ccc(NC(=S)NCC2CCCCC2)cc1Cl.Oc1ccc(NC(=S)NCc2ccc(C(F)(F)F)cc2)cc1Cl.Oc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl.Oc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1Cl.Oc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H12ClF3N2OS.C15H23ClN2OS.C14H10ClF3N2OS.C14H19ClN2OS.C13H9Cl3N2OS.C13H10Cl2N2OS.C11H15ClN2OS.C10H13ClN2OS/c16-12-7-11(5-6-13(12)22)21-14(23)20-8-9-1-3-10(4-2-9)15(17,18)19;1-14(2,3)9-15(4,5)18-13(20)17-10-6-7-12(19)11(16)8-10;15-11-7-10(5-6-12(11)21)20-13(22)19-9-3-1-8(2-4-9)14(16,17)18;15-12-8-11(6-7-13(12)18)17-14(19)16-9-10-4-2-1-3-5-10;14-7-3-8(15)5-10(4-7)18-13(20)17-9-1-2-12(19)11(16)6-9;14-8-1-3-9(4-2-8)16-13(19)17-10-5-6-12(18)11(15)7-10;1-11(2,3)14-10(16)13-7-4-5-9(15)8(12)6-7;1-6(2)12-10(15)13-8-5-7(11)3-4-9(8)14/h1-7,22H,8H2,(H2,20,21,23);6-8,19H,9H2,1-5H3,(H2,17,18,20);1-7,21H,(H2,19,20,22);6-8,10,18H,1-5,9H2,(H2,16,17,19);1-6,19H,(H2,17,18,20);1-7,18H,(H2,16,17,19);4-6,15H,1-3H3,(H2,13,14,16);3-6,14H,1-2H3,(H2,12,13,15)
InChIKeyMUEWDSPTUBCQGO-UHFFFAOYSA-N
MW2485.65 g/mol
LogP33.42
Rot. Bonds18

About 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea

1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea (PubChem CID 173222521) has the molecular formula C105H111Cl11F6N16O8S8 and a molecular weight of 2485.65 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
PubChem CID173222521
Molecular FormulaC105H111Cl11F6N16O8S8
Molecular Weight2485.65 g/mol
Exact Mass2478.30
IUPAC Name1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
SMILESCC(C)(C)CC(C)(C)NC(=S)Nc1ccc(O)c(Cl)c1.CC(C)(C)NC(=S)Nc1ccc(O)c(Cl)c1.CC(C)NC(=S)Nc1cc(Cl)ccc1O.Oc1ccc(NC(=S)NCC2CCCCC2)cc1Cl.Oc1ccc(NC(=S)NCc2ccc(C(F)(F)F)cc2)cc1Cl.Oc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl.Oc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1Cl.Oc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H12ClF3N2OS.C15H23ClN2OS.C14H10ClF3N2OS.C14H19ClN2OS.C13H9Cl3N2OS.C13H10Cl2N2OS.C11H15ClN2OS.C10H13ClN2OS/c16-12-7-11(5-6-13(12)22)21-14(23)20-8-9-1-3-10(4-2-9)15(17,18)19;1-14(2,3)9-15(4,5)18-13(20)17-10-6-7-12(19)11(16)8-10;15-11-7-10(5-6-12(11)21)20-13(22)19-9-3-1-8(2-4-9)14(16,17)18;15-12-8-11(6-7-13(12)18)17-14(19)16-9-10-4-2-1-3-5-10;14-7-3-8(15)5-10(4-7)18-13(20)17-9-1-2-12(19)11(16)6-9;14-8-1-3-9(4-2-8)16-13(19)17-10-5-6-12(18)11(15)7-10;1-11(2,3)14-10(16)13-7-4-5-9(15)8(12)6-7;1-6(2)12-10(15)13-8-5-7(11)3-4-9(8)14/h1-7,22H,8H2,(H2,20,21,23);6-8,19H,9H2,1-5H3,(H2,17,18,20);1-7,21H,(H2,19,20,22);6-8,10,18H,1-5,9H2,(H2,16,17,19);1-6,19H,(H2,17,18,20);1-7,18H,(H2,16,17,19);4-6,15H,1-3H3,(H2,13,14,16);3-6,14H,1-2H3,(H2,12,13,15)
InChIKeyMUEWDSPTUBCQGO-UHFFFAOYSA-N
XLogP33.42
TPSA354.32 Ų
H-Bond Donors24
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002485.65
LogP ≤ 533.42
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea with MolForge

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Related Compounds

1-tert-butyl-3-(3,5-dichloro-2-hydroxyphenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3,5-dichloro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 157086606
1-tert-butyl-3-(3,4-difluoro-2-hydroxyphenyl)thiourea;1-(3,4-difluoro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3,4-difluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 160848940
1-tert-butyl-3-(5-chloro-2-hydroxyphenyl)thiourea
CID 87653917
1-(3-chlorophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea
CID 3422914
1-[(4-chlorophenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 19652264
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-chlorophenyl)methyl]thiourea
CID 19649262
1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
CID 87655959
1-(3,4-dichlorophenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 19652237
1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 87655256
1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 87655608
1-[3-(trifluoromethyl)phenyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 19652248
1-[(3,4-diethoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100667421

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
The IUPAC name of 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea (CID 173222521) is 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea.
What is the SMILES notation for 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
The canonical SMILES for 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea is CC(C)(C)CC(C)(C)NC(=S)Nc1ccc(O)c(Cl)c1.CC(C)(C)NC(=S)Nc1ccc(O)c(Cl)c1.CC(C)NC(=S)Nc1cc(Cl)ccc1O.Oc1ccc(NC(=S)NCC2CCCCC2)cc1Cl.Oc1ccc(NC(=S)NCc2ccc(C(F)(F)F)cc2)cc1Cl.Oc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl.Oc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1Cl.Oc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
The InChIKey is MUEWDSPTUBCQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2OS.C15H23ClN2OS.C14H10ClF3N2OS.C14H19ClN2OS.C13H9Cl3N2OS.C13H10Cl2N2OS.C11H15ClN2OS.C10H13ClN2OS/c16-12-7-11(5-6-13(12)22)21-14(23)20-8-9-1-3-10(4-2-9)15(17,18)19;1-14(2,3)9-15(4,5)18-13(20)17-10-6-7-12(19)11(16)8-10;15-11-7-10(5-6-12(11)21)20-13(22)19-9-3-1-8(2-4-9)14(16,17)18;15-12-8-11(6-7-13(12)18)17-14(19)16-9-10-4-2-1-3-5-10;14-7-3-8(15)5-10(4-7)18-13(20)17-9-1-2-12(19)11(16)6-9;14-8-1-3-9(4-2-8)16-13(19)17-10-5-6-12(18)11(15)7-10;1-11(2,3)14-10(16)13-7-4-5-9(15)8(12)6-7;1-6(2)12-10(15)13-8-5-7(11)3-4-9(8)14/h1-7,22H,8H2,(H2,20,21,23);6-8,19H,9H2,1-5H3,(H2,17,18,20);1-7,21H,(H2,19,20,22);6-8,10,18H,1-5,9H2,(H2,16,17,19);1-6,19H,(H2,17,18,20);1-7,18H,(H2,16,17,19);4-6,15H,1-3H3,(H2,13,14,16);3-6,14H,1-2H3,(H2,12,13,15).
What are the key properties of 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea has a molecular weight of 2485.65 g/mol, XLogP of 33.42, 18 rotatable bonds, 24 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-chloro-4-hydroxyphenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(cyclohexylmethyl)thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea;1-(5-chloro-2-hydroxyphenyl)-3-propan-2-ylthiourea;1-(3-chloro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea;1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea is sourced from PubChem (CID 173222521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).