(5-acetyl-2-hydroxyphenyl)thiourea

C9H10N2O2S — CID 169357208

IUPAC(5-acetyl-2-hydroxyphenyl)thiourea
SMILESCC(=O)c1ccc(O)c(NC(N)=S)c1
InChIInChI=1S/C9H10N2O2S/c1-5(12)6-2-3-8(13)7(4-6)11-9(10)14/h2-4,13H,1H3,(H3,10,11,14)
InChIKeyPGQSHRCDCPUWSN-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.25
Rot. Bonds2

About (5-acetyl-2-hydroxyphenyl)thiourea

(5-acetyl-2-hydroxyphenyl)thiourea (PubChem CID 169357208) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is (5-acetyl-2-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name(5-acetyl-2-hydroxyphenyl)thiourea
PubChem CID169357208
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name(5-acetyl-2-hydroxyphenyl)thiourea
SMILESCC(=O)c1ccc(O)c(NC(N)=S)c1
InChIInChI=1S/C9H10N2O2S/c1-5(12)6-2-3-8(13)7(4-6)11-9(10)14/h2-4,13H,1H3,(H3,10,11,14)
InChIKeyPGQSHRCDCPUWSN-UHFFFAOYSA-N
XLogP1.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-acetyl-2-bromophenyl)thiourea
CID 169359829
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
4-tert-butyl-3-(carbamothioylamino)benzoic acid
CID 169358028
N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
CID 75401141
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
CID 139715315
N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide
CID 75447520
(5-acetyl-2-hydroxyphenyl)astatine
CID 177043145
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide
CID 58798079
4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 82179504
3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-hydroxyphenyl)thiourea?
The IUPAC name of (5-acetyl-2-hydroxyphenyl)thiourea (CID 169357208) is (5-acetyl-2-hydroxyphenyl)thiourea.
What is the SMILES notation for (5-acetyl-2-hydroxyphenyl)thiourea?
The canonical SMILES for (5-acetyl-2-hydroxyphenyl)thiourea is CC(=O)c1ccc(O)c(NC(N)=S)c1.
What is the InChIKey of (5-acetyl-2-hydroxyphenyl)thiourea?
The InChIKey is PGQSHRCDCPUWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5(12)6-2-3-8(13)7(4-6)11-9(10)14/h2-4,13H,1H3,(H3,10,11,14).
What are the key properties of (5-acetyl-2-hydroxyphenyl)thiourea?
(5-acetyl-2-hydroxyphenyl)thiourea has a molecular weight of 210.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-hydroxyphenyl)thiourea is sourced from PubChem (CID 169357208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).