ethyl N-(2-sulfanylphenyl)carbamate

C9H11NO2S — CID 67765006

IUPACethyl N-(2-sulfanylphenyl)carbamate
SMILESCCOC(=O)Nc1ccccc1S
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)10-7-5-3-4-6-8(7)13/h3-6,13H,2H2,1H3,(H,10,11)
InChIKeyDOISXOXQQFYHGG-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.54
Rot. Bonds2

About ethyl N-(2-sulfanylphenyl)carbamate

ethyl N-(2-sulfanylphenyl)carbamate (PubChem CID 67765006) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is ethyl N-(2-sulfanylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-sulfanylphenyl)carbamate
PubChem CID67765006
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameethyl N-(2-sulfanylphenyl)carbamate
SMILESCCOC(=O)Nc1ccccc1S
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)10-7-5-3-4-6-8(7)13/h3-6,13H,2H2,1H3,(H,10,11)
InChIKeyDOISXOXQQFYHGG-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-sulfanylphenyl)carbamate?
The IUPAC name of ethyl N-(2-sulfanylphenyl)carbamate (CID 67765006) is ethyl N-(2-sulfanylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-sulfanylphenyl)carbamate?
The canonical SMILES for ethyl N-(2-sulfanylphenyl)carbamate is CCOC(=O)Nc1ccccc1S.
What is the InChIKey of ethyl N-(2-sulfanylphenyl)carbamate?
The InChIKey is DOISXOXQQFYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-12-9(11)10-7-5-3-4-6-8(7)13/h3-6,13H,2H2,1H3,(H,10,11).
What are the key properties of ethyl N-(2-sulfanylphenyl)carbamate?
ethyl N-(2-sulfanylphenyl)carbamate has a molecular weight of 197.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-sulfanylphenyl)carbamate is sourced from PubChem (CID 67765006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).