4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide

C14H13NOS — CID 136822865

IUPAC4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide
SMILESCc1cc(O)ccc1C(=S)Nc1ccccc1
InChIInChI=1S/C14H13NOS/c1-10-9-12(16)7-8-13(10)14(17)15-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,17)
InChIKeyWRQWEJWADYOCEM-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.49
Rot. Bonds2

About 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide

4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide (PubChem CID 136822865) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide
PubChem CID136822865
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide
SMILESCc1cc(O)ccc1C(=S)Nc1ccccc1
InChIInChI=1S/C14H13NOS/c1-10-9-12(16)7-8-13(10)14(17)15-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,17)
InChIKeyWRQWEJWADYOCEM-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2,4-dihydroxybenzenecarbothioamide
CID 135496307
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
1-(2,4-dihydroxyphenyl)-3-phenylthiourea
CID 87654252
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
1-(3,4-dimethylphenyl)-3-phenylthiourea
CID 837227
N-(4-butan-2-ylphenyl)-2,4-dihydroxybenzenecarbothioamide
CID 135432872
N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
CID 99702239
3-[4-chloro-2-(phenylcarbamothioyl)phenyl]-1,1-dimethylurea
CID 10544659
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide?
The IUPAC name of 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide (CID 136822865) is 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide is Cc1cc(O)ccc1C(=S)Nc1ccccc1.
What is the InChIKey of 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide?
The InChIKey is WRQWEJWADYOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-10-9-12(16)7-8-13(10)14(17)15-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,17).
What are the key properties of 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide?
4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide has a molecular weight of 243.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide is sourced from PubChem (CID 136822865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).