O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate

C15H15NO4S — CID 88825166

IUPACO-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate
SMILESCOc1ccc(OC)c(NC(=S)Oc2ccc(O)cc2)c1
InChIInChI=1S/C15H15NO4S/c1-18-12-7-8-14(19-2)13(9-12)16-15(21)20-11-5-3-10(17)4-6-11/h3-9,17H,1-2H3,(H,16,21)
InChIKeyBFXKHZDOAXIYQR-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.19
Rot. Bonds4

About O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate

O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate (PubChem CID 88825166) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate.

Molecular Properties

Compound NameO-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate
PubChem CID88825166
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameO-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate
SMILESCOc1ccc(OC)c(NC(=S)Oc2ccc(O)cc2)c1
InChIInChI=1S/C15H15NO4S/c1-18-12-7-8-14(19-2)13(9-12)16-15(21)20-11-5-3-10(17)4-6-11/h3-9,17H,1-2H3,(H,16,21)
InChIKeyBFXKHZDOAXIYQR-UHFFFAOYSA-N
XLogP3.19
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
methyl N-[(2,5-dimethoxyphenyl)carbamothioylamino]carbamate
CID 970721
1-(cyclopropylmethyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 3840161
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
1-(2,5-dimethoxyphenyl)-3-pyridin-4-ylthiourea
CID 19655598
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135554167
1-(2,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 19648706
4-(2,4-dimethoxyphenyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
CID 4669459
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 174759761
(2,6-dimethoxyphenyl) N-(2,5-dimethoxyphenyl)carbamate
CID 3325255
N-(2,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399992

Frequently Asked Questions

What is the IUPAC name of O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate?
The IUPAC name of O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate (CID 88825166) is O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate.
What is the SMILES notation for O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate?
The canonical SMILES for O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate is COc1ccc(OC)c(NC(=S)Oc2ccc(O)cc2)c1.
What is the InChIKey of O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate?
The InChIKey is BFXKHZDOAXIYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-18-12-7-8-14(19-2)13(9-12)16-15(21)20-11-5-3-10(17)4-6-11/h3-9,17H,1-2H3,(H,16,21).
What are the key properties of O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate?
O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate has a molecular weight of 305.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate is sourced from PubChem (CID 88825166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).