6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol

C16H24OS2 — CID 115807430

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2cc3c(s2)CCSC3)CC1
InChIInChI=1S/C16H24OS2/c1-2-11-3-5-12(6-4-11)16(17)15-9-13-10-18-8-7-14(13)19-15/h9,11-12,16-17H,2-8,10H2,1H3
InChIKeyZMIXCXOQFAMGIJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.79
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol (PubChem CID 115807430) has the molecular formula C16H24OS2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol
PubChem CID115807430
Molecular FormulaC16H24OS2
Molecular Weight296.50 g/mol
Exact Mass296.13
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2cc3c(s2)CCSC3)CC1
InChIInChI=1S/C16H24OS2/c1-2-11-3-5-12(6-4-11)16(17)15-9-13-10-18-8-7-14(13)19-15/h9,11-12,16-17H,2-8,10H2,1H3
InChIKeyZMIXCXOQFAMGIJ-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
[2-cyclopentyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethyl]hydrazine
CID 105298978
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
CID 104994984
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
CID 115791416
(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol
CID 102829789
1-cycloheptyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 105027681
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(oxan-4-yl)methyl]ethanamine
CID 115856026
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol
CID 114981391
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 104990968
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115840619

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol (CID 115807430) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol is CCC1CCC(C(O)c2cc3c(s2)CCSC3)CC1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol?
The InChIKey is ZMIXCXOQFAMGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS2/c1-2-11-3-5-12(6-4-11)16(17)15-9-13-10-18-8-7-14(13)19-15/h9,11-12,16-17H,2-8,10H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol has a molecular weight of 296.50 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol is sourced from PubChem (CID 115807430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).