1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea

C14H13ClN2OS — CID 17285028

IUPAC1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
SMILESCc1ccc(O)c(NC(=S)Nc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-6-7-13(18)12(8-9)17-14(19)16-11-5-3-2-4-10(11)15/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyQGNBVULBRKJFTK-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.16
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea

1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea (PubChem CID 17285028) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
PubChem CID17285028
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
SMILESCc1ccc(O)c(NC(=S)Nc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-6-7-13(18)12(8-9)17-14(19)16-11-5-3-2-4-10(11)15/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyQGNBVULBRKJFTK-UHFFFAOYSA-N
XLogP4.16
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
CID 12751497
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 910357
1-(2-chlorophenyl)-3-[(S)-(2,4-dimethylphenyl)-phenylmethyl]thiourea
CID 100747275
1-(2-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]thiourea
CID 100746421
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
1-(2,3-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 971408
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
2-[(2-chlorophenyl)carbamothioylamino]benzenethiolate
CID 6932852
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
O-methyl N-(2-chlorophenyl)carbamothioate
CID 2741365
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfonylthiourea
CID 139645074

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea (CID 17285028) is 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea is Cc1ccc(O)c(NC(=S)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
The InChIKey is QGNBVULBRKJFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-6-7-13(18)12(8-9)17-14(19)16-11-5-3-2-4-10(11)15/h2-8,18H,1H3,(H2,16,17,19).
What are the key properties of 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea has a molecular weight of 292.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea is sourced from PubChem (CID 17285028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).