O-methyl N-(3-hydroxyphenyl)carbamothioate

C8H9NO2S — CID 130011052

IUPACO-methyl N-(3-hydroxyphenyl)carbamothioate
SMILESCOC(=S)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO2S/c1-11-8(12)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,12)
InChIKeyTUAYUUVAVSRLIC-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.74
Rot. Bonds1

About O-methyl N-(3-hydroxyphenyl)carbamothioate

O-methyl N-(3-hydroxyphenyl)carbamothioate (PubChem CID 130011052) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is O-methyl N-(3-hydroxyphenyl)carbamothioate.

Molecular Properties

Compound NameO-methyl N-(3-hydroxyphenyl)carbamothioate
PubChem CID130011052
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC NameO-methyl N-(3-hydroxyphenyl)carbamothioate
SMILESCOC(=S)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO2S/c1-11-8(12)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,12)
InChIKeyTUAYUUVAVSRLIC-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-methyl N-(3-tert-butylphenyl)carbamothioate
CID 4091377
methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate
CID 23619088
3-(prop-1-en-2-ylamino)phenol
CID 143950523
N-[(3-hydroxyphenyl)carbamothioyl]propanamide
CID 4939152
methyl 2-[(3-hydroxyphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate
CID 17255567
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160
3-(2,6-dimethylanilino)phenol
CID 53407688
diethyl 2-[1-(3-hydroxyanilino)ethylidene]propanedioate
CID 21235052
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676

Frequently Asked Questions

What is the IUPAC name of O-methyl N-(3-hydroxyphenyl)carbamothioate?
The IUPAC name of O-methyl N-(3-hydroxyphenyl)carbamothioate (CID 130011052) is O-methyl N-(3-hydroxyphenyl)carbamothioate.
What is the SMILES notation for O-methyl N-(3-hydroxyphenyl)carbamothioate?
The canonical SMILES for O-methyl N-(3-hydroxyphenyl)carbamothioate is COC(=S)Nc1cccc(O)c1.
What is the InChIKey of O-methyl N-(3-hydroxyphenyl)carbamothioate?
The InChIKey is TUAYUUVAVSRLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-11-8(12)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,12).
What are the key properties of O-methyl N-(3-hydroxyphenyl)carbamothioate?
O-methyl N-(3-hydroxyphenyl)carbamothioate has a molecular weight of 183.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-(3-hydroxyphenyl)carbamothioate is sourced from PubChem (CID 130011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).