(2-methylsulfanylphenyl) N-methylcarbamate

C9H11NO2S — CID 23273737

IUPAC(2-methylsulfanylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1SC
InChIInChI=1S/C9H11NO2S/c1-10-9(11)12-7-5-3-4-6-8(7)13-2/h3-6H,1-2H3,(H,10,11)
InChIKeyAWOBCEWYYJWJTL-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.13
Rot. Bonds2

About (2-methylsulfanylphenyl) N-methylcarbamate

(2-methylsulfanylphenyl) N-methylcarbamate (PubChem CID 23273737) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (2-methylsulfanylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-methylsulfanylphenyl) N-methylcarbamate
PubChem CID23273737
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(2-methylsulfanylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1SC
InChIInChI=1S/C9H11NO2S/c1-10-9(11)12-7-5-3-4-6-8(7)13-2/h3-6H,1-2H3,(H,10,11)
InChIKeyAWOBCEWYYJWJTL-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl) N-methylcarbamate?
The IUPAC name of (2-methylsulfanylphenyl) N-methylcarbamate (CID 23273737) is (2-methylsulfanylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-methylsulfanylphenyl) N-methylcarbamate?
The canonical SMILES for (2-methylsulfanylphenyl) N-methylcarbamate is CNC(=O)Oc1ccccc1SC.
What is the InChIKey of (2-methylsulfanylphenyl) N-methylcarbamate?
The InChIKey is AWOBCEWYYJWJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10-9(11)12-7-5-3-4-6-8(7)13-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of (2-methylsulfanylphenyl) N-methylcarbamate?
(2-methylsulfanylphenyl) N-methylcarbamate has a molecular weight of 197.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl) N-methylcarbamate is sourced from PubChem (CID 23273737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).