ethyl phenylsulfanylmethyl carbonate

C10H12O3S — CID 15254405

IUPACethyl phenylsulfanylmethyl carbonate
SMILESCCOC(=O)OCSc1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-12-10(11)13-8-14-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVXRAWFHAJVOBKR-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.91
Rot. Bonds4

About ethyl phenylsulfanylmethyl carbonate

ethyl phenylsulfanylmethyl carbonate (PubChem CID 15254405) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is ethyl phenylsulfanylmethyl carbonate.

Molecular Properties

Compound Nameethyl phenylsulfanylmethyl carbonate
PubChem CID15254405
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Nameethyl phenylsulfanylmethyl carbonate
SMILESCCOC(=O)OCSc1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-12-10(11)13-8-14-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVXRAWFHAJVOBKR-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-(phenylsulfinyl)acetate
CID 84191
17277-58-6
CID 123375
Acetic acid, (phenylthio)-, ethyl ester
CID 97312
Ethyl Fluoro(phenylthio)acetate
CID 11148583
Ethyl 3-phenylthiopropionate
CID 320403
Methyl 3-(phenylthio)propionate
CID 350367
Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester
CID 546271
Methyl-4-(phenylthio)butanoate
CID 12718409
Methyl 3-(phenylthio)isobutyrate
CID 94772
((Methoxymethyl)thio)benzene
CID 542598
Butyric acid, 3-(phenylthio)-, methyl ester
CID 10750953
Ethyl phenylsulfanylformate
CID 314216

Frequently Asked Questions

What is the IUPAC name of ethyl phenylsulfanylmethyl carbonate?
The IUPAC name of ethyl phenylsulfanylmethyl carbonate (CID 15254405) is ethyl phenylsulfanylmethyl carbonate.
What is the SMILES notation for ethyl phenylsulfanylmethyl carbonate?
The canonical SMILES for ethyl phenylsulfanylmethyl carbonate is CCOC(=O)OCSc1ccccc1.
What is the InChIKey of ethyl phenylsulfanylmethyl carbonate?
The InChIKey is VXRAWFHAJVOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-12-10(11)13-8-14-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl phenylsulfanylmethyl carbonate?
ethyl phenylsulfanylmethyl carbonate has a molecular weight of 212.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl phenylsulfanylmethyl carbonate is sourced from PubChem (CID 15254405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).