6-ethyl-2H-thiochromene 1,1-dioxide

C11H12O2S — CID 70801776

IUPAC6-ethyl-2H-thiochromene 1,1-dioxide
SMILESCCc1ccc2c(c1)C=CCS2(=O)=O
InChIInChI=1S/C11H12O2S/c1-2-9-5-6-11-10(8-9)4-3-7-14(11,12)13/h3-6,8H,2,7H2,1H3
InChIKeyFENBOKQGCKZSEM-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.05
Rot. Bonds1

About 6-ethyl-2H-thiochromene 1,1-dioxide

6-ethyl-2H-thiochromene 1,1-dioxide (PubChem CID 70801776) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-ethyl-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name6-ethyl-2H-thiochromene 1,1-dioxide
PubChem CID70801776
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name6-ethyl-2H-thiochromene 1,1-dioxide
SMILESCCc1ccc2c(c1)C=CCS2(=O)=O
InChIInChI=1S/C11H12O2S/c1-2-9-5-6-11-10(8-9)4-3-7-14(11,12)13/h3-6,8H,2,7H2,1H3
InChIKeyFENBOKQGCKZSEM-UHFFFAOYSA-N
XLogP2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2H-thiochromene 1,1-dioxide?
The IUPAC name of 6-ethyl-2H-thiochromene 1,1-dioxide (CID 70801776) is 6-ethyl-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 6-ethyl-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 6-ethyl-2H-thiochromene 1,1-dioxide is CCc1ccc2c(c1)C=CCS2(=O)=O.
What is the InChIKey of 6-ethyl-2H-thiochromene 1,1-dioxide?
The InChIKey is FENBOKQGCKZSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-2-9-5-6-11-10(8-9)4-3-7-14(11,12)13/h3-6,8H,2,7H2,1H3.
What are the key properties of 6-ethyl-2H-thiochromene 1,1-dioxide?
6-ethyl-2H-thiochromene 1,1-dioxide has a molecular weight of 208.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 70801776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).