ethyl N-(2-methylsulfanylphenyl)carbamate

C10H13NO2S — CID 15380830

IUPACethyl N-(2-methylsulfanylphenyl)carbamate
SMILESCCOC(=O)Nc1ccccc1SC
InChIInChI=1S/C10H13NO2S/c1-3-13-10(12)11-8-6-4-5-7-9(8)14-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyAZQJXQOPXRSMNI-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.98
Rot. Bonds3

About ethyl N-(2-methylsulfanylphenyl)carbamate

ethyl N-(2-methylsulfanylphenyl)carbamate (PubChem CID 15380830) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl N-(2-methylsulfanylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methylsulfanylphenyl)carbamate
PubChem CID15380830
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl N-(2-methylsulfanylphenyl)carbamate
SMILESCCOC(=O)Nc1ccccc1SC
InChIInChI=1S/C10H13NO2S/c1-3-13-10(12)11-8-6-4-5-7-9(8)14-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyAZQJXQOPXRSMNI-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylsulfanylphenyl)carbamate?
The IUPAC name of ethyl N-(2-methylsulfanylphenyl)carbamate (CID 15380830) is ethyl N-(2-methylsulfanylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-methylsulfanylphenyl)carbamate?
The canonical SMILES for ethyl N-(2-methylsulfanylphenyl)carbamate is CCOC(=O)Nc1ccccc1SC.
What is the InChIKey of ethyl N-(2-methylsulfanylphenyl)carbamate?
The InChIKey is AZQJXQOPXRSMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-13-10(12)11-8-6-4-5-7-9(8)14-2/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of ethyl N-(2-methylsulfanylphenyl)carbamate?
ethyl N-(2-methylsulfanylphenyl)carbamate has a molecular weight of 211.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylsulfanylphenyl)carbamate is sourced from PubChem (CID 15380830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).