methyl N-(4-sulfanylphenyl)carbamate

C8H9NO2S — CID 603048

IUPACmethyl N-(4-sulfanylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(S)cc1
InChIInChI=1S/C8H9NO2S/c1-11-8(10)9-6-2-4-7(12)5-3-6/h2-5,12H,1H3,(H,9,10)
InChIKeyKKAZSKYYJGSNCZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.15
Rot. Bonds1

About methyl N-(4-sulfanylphenyl)carbamate

methyl N-(4-sulfanylphenyl)carbamate (PubChem CID 603048) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is methyl N-(4-sulfanylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-sulfanylphenyl)carbamate
PubChem CID603048
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Namemethyl N-(4-sulfanylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(S)cc1
InChIInChI=1S/C8H9NO2S/c1-11-8(10)9-6-2-4-7(12)5-3-6/h2-5,12H,1H3,(H,9,10)
InChIKeyKKAZSKYYJGSNCZ-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
CID 68594224
CID 68594224
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
[4-(methoxycarbonylamino)phenoxy]boronic acid
CID 142779925
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
methyl N-[4-(chlorodisulfanyl)phenyl]carbamate
CID 22301634
methyl N-(4-pyrrol-1-ylphenyl)carbamate
CID 110726346
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-sulfanylphenyl)carbamate?
The IUPAC name of methyl N-(4-sulfanylphenyl)carbamate (CID 603048) is methyl N-(4-sulfanylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-sulfanylphenyl)carbamate?
The canonical SMILES for methyl N-(4-sulfanylphenyl)carbamate is COC(=O)Nc1ccc(S)cc1.
What is the InChIKey of methyl N-(4-sulfanylphenyl)carbamate?
The InChIKey is KKAZSKYYJGSNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-11-8(10)9-6-2-4-7(12)5-3-6/h2-5,12H,1H3,(H,9,10).
What are the key properties of methyl N-(4-sulfanylphenyl)carbamate?
methyl N-(4-sulfanylphenyl)carbamate has a molecular weight of 183.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-sulfanylphenyl)carbamate is sourced from PubChem (CID 603048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).