(3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate

C12H17NO2S — CID 138394718

IUPAC(3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cc(C)c(SC)c(C)c1
InChIInChI=1S/C12H17NO2S/c1-5-13-12(14)15-10-6-8(2)11(16-4)9(3)7-10/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyJTIAEXISLRFJHI-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.13
Rot. Bonds3

About (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate

(3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate (PubChem CID 138394718) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate.

Molecular Properties

Compound Name(3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate
PubChem CID138394718
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cc(C)c(SC)c(C)c1
InChIInChI=1S/C12H17NO2S/c1-5-13-12(14)15-10-6-8(2)11(16-4)9(3)7-10/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyJTIAEXISLRFJHI-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methiocarb
CID 16248
Methiocarb sulfone
CID 16589
Methiocarb sulfoxide
CID 17521
4-(Methylthio)-m-tolyl methylcarbamate
CID 19106
Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester
CID 26606
Carbamic acid, acetylmethyl-, 4-(methylthio)-3,5-xylyl ester
CID 75482
Thiocyanic acid, 2-isopropyl-5-methyl-4-(((methylamino)carbonyl)oxy)phenyl ester
CID 200811
Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester
CID 201260
(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate
CID 14054370
Methiocarb-d3
CID 117065427
Methylthio-3,5-xylyl methylcarbamate
CID 129776715
(3-methyl-4-methylsulfanylphenyl) N-ethylcarbamate
CID 76309295

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate?
The IUPAC name of (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate (CID 138394718) is (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate.
What is the SMILES notation for (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate?
The canonical SMILES for (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate is CCNC(=O)Oc1cc(C)c(SC)c(C)c1.
What is the InChIKey of (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate?
The InChIKey is JTIAEXISLRFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-5-13-12(14)15-10-6-8(2)11(16-4)9(3)7-10/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate?
(3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate has a molecular weight of 239.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-methylsulfanylphenyl) N-ethylcarbamate is sourced from PubChem (CID 138394718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).