ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide

C12H18OS — CID 143889078

IUPACethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide
SMILESCC.CC1CCS(=O)c2ccccc21
InChIInChI=1S/C10H12OS.C2H6/c1-8-6-7-12(11)10-5-3-2-4-9(8)10;1-2/h2-5,8H,6-7H2,1H3;1-2H3
InChIKeyZUALDKVQJYPDIM-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.33
Rot. Bonds

About ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide

ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide (PubChem CID 143889078) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide.

Molecular Properties

Compound Nameethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide
PubChem CID143889078
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Nameethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide
SMILESCC.CC1CCS(=O)c2ccccc21
InChIInChI=1S/C10H12OS.C2H6/c1-8-6-7-12(11)10-5-3-2-4-9(8)10;1-2/h2-5,8H,6-7H2,1H3;1-2H3
InChIKeyZUALDKVQJYPDIM-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide?
The IUPAC name of ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide (CID 143889078) is ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide.
What is the SMILES notation for ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide?
The canonical SMILES for ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide is CC.CC1CCS(=O)c2ccccc21.
What is the InChIKey of ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide?
The InChIKey is ZUALDKVQJYPDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS.C2H6/c1-8-6-7-12(11)10-5-3-2-4-9(8)10;1-2/h2-5,8H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide?
ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide has a molecular weight of 210.34 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide is sourced from PubChem (CID 143889078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).