(4-hydroxy-3-methoxyphenyl)thiourea

C8H10N2O2S — CID 57183601

IUPAC(4-hydroxy-3-methoxyphenyl)thiourea
SMILESCOc1cc(NC(N)=S)ccc1O
InChIInChI=1S/C8H10N2O2S/c1-12-7-4-5(10-8(9)13)2-3-6(7)11/h2-4,11H,1H3,(H3,9,10,13)
InChIKeyYPRJPMAKCALTAY-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.06
Rot. Bonds2

About (4-hydroxy-3-methoxyphenyl)thiourea

(4-hydroxy-3-methoxyphenyl)thiourea (PubChem CID 57183601) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)thiourea
PubChem CID57183601
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(4-hydroxy-3-methoxyphenyl)thiourea
SMILESCOc1cc(NC(N)=S)ccc1O
InChIInChI=1S/C8H10N2O2S/c1-12-7-4-5(10-8(9)13)2-3-6(7)11/h2-4,11H,1H3,(H3,9,10,13)
InChIKeyYPRJPMAKCALTAY-UHFFFAOYSA-N
XLogP1.06
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-4-sulfamoylphenyl)thiourea
CID 169359137
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea
CID 134113307
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
(4-methoxy-3-pyrrol-1-ylphenyl)thiourea
CID 134113238
(3,4-dimethoxyphenyl)urea
CID 21197430
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
3-amino-N-(4-fluoro-3-methoxyphenyl)-3-sulfanylidenepropanamide
CID 114839886
2-[5-(carbamothioylamino)-2-methoxyphenyl]ethylcarbamic acid
CID 18622048
[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169357970
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)thiourea?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)thiourea (CID 57183601) is (4-hydroxy-3-methoxyphenyl)thiourea.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)thiourea?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)thiourea is COc1cc(NC(N)=S)ccc1O.
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)thiourea?
The InChIKey is YPRJPMAKCALTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-7-4-5(10-8(9)13)2-3-6(7)11/h2-4,11H,1H3,(H3,9,10,13).
What are the key properties of (4-hydroxy-3-methoxyphenyl)thiourea?
(4-hydroxy-3-methoxyphenyl)thiourea has a molecular weight of 198.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxyphenyl)thiourea is sourced from PubChem (CID 57183601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).