6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone

C14H14OS3 — CID 81269669

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc3c(s2)CCSC3)s1
InChIInChI=1S/C14H14OS3/c1-2-10-3-4-12(17-10)14(15)13-7-9-8-16-6-5-11(9)18-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJRDIEXKNDLLPAX-UHFFFAOYSA-N
MW294.47 g/mol
LogP4.39
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone (PubChem CID 81269669) has the molecular formula C14H14OS3 and a molecular weight of 294.47 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone
PubChem CID81269669
Molecular FormulaC14H14OS3
Molecular Weight294.47 g/mol
Exact Mass294.02
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc3c(s2)CCSC3)s1
InChIInChI=1S/C14H14OS3/c1-2-10-3-4-12(17-10)14(15)13-7-9-8-16-6-5-11(9)18-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJRDIEXKNDLLPAX-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylphenyl)methanone
CID 81268783
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,4-dimethylphenyl)methanone
CID 81260815
(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261881
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
(5-bromo-4-chlorothiophen-2-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261181
(3-bromo-4-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 104656925
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)acetate
CID 80708882
N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113351917
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-one
CID 114968789
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone
CID 81270140

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone (CID 81269669) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)c2cc3c(s2)CCSC3)s1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone?
The InChIKey is JRDIEXKNDLLPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS3/c1-2-10-3-4-12(17-10)14(15)13-7-9-8-16-6-5-11(9)18-13/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone has a molecular weight of 294.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 81269669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).