(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate

C12H17NO2S — CID 117060576

IUPAC(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
SMILESCSc1ccc(OC(=O)NC(C)C)cc1C
InChIInChI=1S/C12H17NO2S/c1-8(2)13-12(14)15-10-5-6-11(16-4)9(3)7-10/h5-8H,1-4H3,(H,13,14)
InChIKeyVNQFDPMKGNHXHE-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.21
Rot. Bonds3

About (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate

(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate (PubChem CID 117060576) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
PubChem CID117060576
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
SMILESCSc1ccc(OC(=O)NC(C)C)cc1C
InChIInChI=1S/C12H17NO2S/c1-8(2)13-12(14)15-10-5-6-11(16-4)9(3)7-10/h5-8H,1-4H3,(H,13,14)
InChIKeyVNQFDPMKGNHXHE-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293
(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 158053906
CID 68562981
CID 68562981
(3,5-diphenylphenyl) N-propan-2-ylcarbamate
CID 44572190
(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
CID 112709148
[formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde
CID 20789980
hydroxy-(3-methyl-4-methylsulfanylphenoxy)-methylperoxy-sulfanylidene-λ5-phosphane
CID 172733624
4-(2,2-dimethylpropoxy)-2-methyl-1-methylsulfanylbenzene
CID 129155734

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate (CID 117060576) is (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate is CSc1ccc(OC(=O)NC(C)C)cc1C.
What is the InChIKey of (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate?
The InChIKey is VNQFDPMKGNHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8(2)13-12(14)15-10-5-6-11(16-4)9(3)7-10/h5-8H,1-4H3,(H,13,14).
What are the key properties of (3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate?
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate has a molecular weight of 239.34 g/mol, XLogP of 3.21, 3 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-propan-2-ylcarbamate is sourced from PubChem (CID 117060576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).