S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate

C15H15NO2S — CID 56840073

IUPACS-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate
SMILESCOc1ccc(NC(=O)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-11-3-9-14(10-4-11)19-15(17)16-12-5-7-13(18-2)8-6-12/h3-10H,1-2H3,(H,16,17)
InChIKeyYNWFEJAPSNKTKZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.33
Rot. Bonds3

About S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate

S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate (PubChem CID 56840073) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate.

Molecular Properties

Compound NameS-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate
PubChem CID56840073
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameS-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate
SMILESCOc1ccc(NC(=O)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-11-3-9-14(10-4-11)19-15(17)16-12-5-7-13(18-2)8-6-12/h3-10H,1-2H3,(H,16,17)
InChIKeyYNWFEJAPSNKTKZ-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(4-methylphenyl) 4-methoxybenzenecarbothioate
CID 797384
1-(4-methoxyphenyl)-3-[[(4-methylphenyl)disulfanyl]methyl]urea
CID 18336519
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel
CID 58219140
S-(4-methylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enethioate
CID 797266
2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
CID 102577743
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828

Frequently Asked Questions

What is the IUPAC name of S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate?
The IUPAC name of S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate (CID 56840073) is S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate.
What is the SMILES notation for S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate?
The canonical SMILES for S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate is COc1ccc(NC(=O)Sc2ccc(C)cc2)cc1.
What is the InChIKey of S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate?
The InChIKey is YNWFEJAPSNKTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-3-9-14(10-4-11)19-15(17)16-12-5-7-13(18-2)8-6-12/h3-10H,1-2H3,(H,16,17).
What are the key properties of S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate?
S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate has a molecular weight of 273.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate is sourced from PubChem (CID 56840073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).