(4-methylphenyl)methyl ethylsulfanylformate

C11H14O2S — CID 22961917

IUPAC(4-methylphenyl)methyl ethylsulfanylformate
SMILESCCSC(=O)OCc1ccc(C)cc1
InChIInChI=1S/C11H14O2S/c1-3-14-11(12)13-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyJLOFXJZNLBCFPS-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.38
Rot. Bonds3

About (4-methylphenyl)methyl ethylsulfanylformate

(4-methylphenyl)methyl ethylsulfanylformate (PubChem CID 22961917) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (4-methylphenyl)methyl ethylsulfanylformate.

Molecular Properties

Compound Name(4-methylphenyl)methyl ethylsulfanylformate
PubChem CID22961917
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(4-methylphenyl)methyl ethylsulfanylformate
SMILESCCSC(=O)OCc1ccc(C)cc1
InChIInChI=1S/C11H14O2S/c1-3-14-11(12)13-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyJLOFXJZNLBCFPS-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
iodo (4-methylphenyl)methyl carbonate
CID 170151158
S-ethyl 3-(4-methylphenyl)propanethioate
CID 161024746
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
CID 144833958
[4-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
CID 21360304
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
methyl formate;(4-methylphenyl)methyl acetate
CID 143607807
(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl ethylsulfanylformate?
The IUPAC name of (4-methylphenyl)methyl ethylsulfanylformate (CID 22961917) is (4-methylphenyl)methyl ethylsulfanylformate.
What is the SMILES notation for (4-methylphenyl)methyl ethylsulfanylformate?
The canonical SMILES for (4-methylphenyl)methyl ethylsulfanylformate is CCSC(=O)OCc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)methyl ethylsulfanylformate?
The InChIKey is JLOFXJZNLBCFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-14-11(12)13-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl ethylsulfanylformate?
(4-methylphenyl)methyl ethylsulfanylformate has a molecular weight of 210.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl ethylsulfanylformate is sourced from PubChem (CID 22961917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).