6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide

C17H20O2S — CID 143935244

IUPAC6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)C1C=C(C(C)C)C=CC1C2
InChIInChI=1S/C17H20O2S/c1-11(2)13-6-7-15-9-14-5-4-12(3)8-16(14)20(18,19)17(15)10-13/h4-8,10-11,15,17H,9H2,1-3H3
InChIKeyDVFGEYXMHXPNSH-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.46
Rot. Bonds1

About 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide

6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide (PubChem CID 143935244) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide
PubChem CID143935244
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)C1C=C(C(C)C)C=CC1C2
InChIInChI=1S/C17H20O2S/c1-11(2)13-6-7-15-9-14-5-4-12(3)8-16(14)20(18,19)17(15)10-13/h4-8,10-11,15,17H,9H2,1-3H3
InChIKeyDVFGEYXMHXPNSH-UHFFFAOYSA-N
XLogP3.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide?
The IUPAC name of 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide (CID 143935244) is 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide.
What is the SMILES notation for 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide?
The canonical SMILES for 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide is Cc1ccc2c(c1)S(=O)(=O)C1C=C(C(C)C)C=CC1C2.
What is the InChIKey of 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide?
The InChIKey is DVFGEYXMHXPNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-11(2)13-6-7-15-9-14-5-4-12(3)8-16(14)20(18,19)17(15)10-13/h4-8,10-11,15,17H,9H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide?
6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide has a molecular weight of 288.41 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-9,9a-dihydro-4aH-thioxanthene 10,10-dioxide is sourced from PubChem (CID 143935244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).