5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide

C15H20O2S — CID 71950265

IUPAC5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide
SMILESCc1cc(C)c2c(c1)CC1CCCCC1S2(=O)=O
InChIInChI=1S/C15H20O2S/c1-10-7-11(2)15-13(8-10)9-12-5-3-4-6-14(12)18(15,16)17/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyAVMJHCNLLULUDU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.19
Rot. Bonds

About 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide

5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide (PubChem CID 71950265) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide
PubChem CID71950265
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide
SMILESCc1cc(C)c2c(c1)CC1CCCCC1S2(=O)=O
InChIInChI=1S/C15H20O2S/c1-10-7-11(2)15-13(8-10)9-12-5-3-4-6-14(12)18(15,16)17/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyAVMJHCNLLULUDU-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4,5,7,9a-pentamethyl-1,2,3,4,4a,9-hexahydrothioxanthene 10,10-dioxide
CID 134112683
(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
CID 162292793
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CID 11378895
1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-3-carboxamide
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CID 45154252
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide?
The IUPAC name of 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide (CID 71950265) is 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide.
What is the SMILES notation for 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide?
The canonical SMILES for 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide is Cc1cc(C)c2c(c1)CC1CCCCC1S2(=O)=O.
What is the InChIKey of 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide?
The InChIKey is AVMJHCNLLULUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-10-7-11(2)15-13(8-10)9-12-5-3-4-6-14(12)18(15,16)17/h7-8,12,14H,3-6,9H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide?
5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide has a molecular weight of 264.39 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide is sourced from PubChem (CID 71950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).