(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate

C10H13NO2S — CID 19106

IUPAC(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H13NO2S/c1-7-6-8(13-10(12)11-2)4-5-9(7)14-3/h4-6H,1-3H3,(H,11,12)
InChIKeySLZKSCPVPMUGAP-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.44
Rot. Bonds2

About (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate

(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate (PubChem CID 19106) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate
PubChem CID19106
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H13NO2S/c1-7-6-8(13-10(12)11-2)4-5-9(7)14-3/h4-6H,1-3H3,(H,11,12)
InChIKeySLZKSCPVPMUGAP-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate?
The IUPAC name of (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate (CID 19106) is (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate.
What is the SMILES notation for (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate?
The canonical SMILES for (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate is CNC(=O)Oc1ccc(SC)c(C)c1.
What is the InChIKey of (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate?
The InChIKey is SLZKSCPVPMUGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-6-8(13-10(12)11-2)4-5-9(7)14-3/h4-6H,1-3H3,(H,11,12).
What are the key properties of (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate?
(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate has a molecular weight of 211.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate is sourced from PubChem (CID 19106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).