9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene

C15H26S — CID 12574117

IUPAC9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
SMILESCCC1C2CCCCC2SC2CCCCC21
InChIInChI=1S/C15H26S/c1-2-11-12-7-3-5-9-14(12)16-15-10-6-4-8-13(11)15/h11-15H,2-10H2,1H3
InChIKeyNEAWEDNQGXWETC-UHFFFAOYSA-N
MW238.44 g/mol
LogP4.88
Rot. Bonds1

About 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene

9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene (PubChem CID 12574117) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene.

Molecular Properties

Compound Name9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
PubChem CID12574117
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Name9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
SMILESCCC1C2CCCCC2SC2CCCCC21
InChIInChI=1S/C15H26S/c1-2-11-12-7-3-5-9-14(12)16-15-10-6-4-8-13(11)15/h11-15H,2-10H2,1H3
InChIKeyNEAWEDNQGXWETC-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene with MolForge

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Related Compounds

octahydro-2H-1-benzothiopyran
CID 574946
cis,cis-2-Methyl-1-thiadecalin
CID 142634
4-Cyclohexylthiane
CID 543539
3-Cyclohexylthiane
CID 568197
Perhydrothioxanthene
CID 597625
4-Methyl-trans-3-thiabicyclo[4.4.0]decane
CID 535359
5-Methylperhydrothiaxanthene
CID 614151
(4aS,8aR)-Octahydro-2H-1-benzothiopyran
CID 12375116
4-Methyl-1-thiade ca lin
CID 12396273
9-Methyl-1-thiadecalin
CID 12396281
trans-3-Thiabicyclo[4.4.0]decane
CID 15581236
2-Thiadecalin
CID 535342

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
The IUPAC name of 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene (CID 12574117) is 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene.
What is the SMILES notation for 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
The canonical SMILES for 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene is CCC1C2CCCCC2SC2CCCCC21.
What is the InChIKey of 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
The InChIKey is NEAWEDNQGXWETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26S/c1-2-11-12-7-3-5-9-14(12)16-15-10-6-4-8-13(11)15/h11-15H,2-10H2,1H3.
What are the key properties of 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene has a molecular weight of 238.44 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene is sourced from PubChem (CID 12574117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).