2,7-dihydrothiopyrano[4,3-b]pyran

C8H8OS — CID 56609471

IUPAC2,7-dihydrothiopyrano[4,3-b]pyran
SMILESC1=CC2=CSCC=C2OC1
InChIInChI=1S/C8H8OS/c1-2-7-6-10-5-3-8(7)9-4-1/h1-3,6H,4-5H2
InChIKeyIUENQDBBPWKQNZ-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.09
Rot. Bonds

About 2,7-dihydrothiopyrano[4,3-b]pyran

2,7-dihydrothiopyrano[4,3-b]pyran (PubChem CID 56609471) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,7-dihydrothiopyrano[4,3-b]pyran.

Molecular Properties

Compound Name2,7-dihydrothiopyrano[4,3-b]pyran
PubChem CID56609471
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2,7-dihydrothiopyrano[4,3-b]pyran
SMILESC1=CC2=CSCC=C2OC1
InChIInChI=1S/C8H8OS/c1-2-7-6-10-5-3-8(7)9-4-1/h1-3,6H,4-5H2
InChIKeyIUENQDBBPWKQNZ-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2H-thiopyran-5-yl)-2H-pyran
CID 18980405
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9H-thieno[2,3-c]chromene
CID 22313871
5,7-Dihydrothiopyrano[3,2-c]pyran
CID 56626595
4-(2H-thiopyran-2-yl)-2H-pyran
CID 66629073
2,10a-dihydro-1H-benzo[b][1,5]benzoxathiepine
CID 70410493
5,8a-Dihydrothiopyrano[4,3-b]pyran
CID 70629360
2,3-Bis(ethenyl)-2,3,6,7-tetrahydro-1,4-benzoxathiine
CID 89261105
2-(5H-thiochromen-3-yl)-5H-chromene
CID 91047660
4a,8a-Dihydro-1,4-benzoxathiine
CID 91182402
7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene
CID 123304898
(2E,3E)-3-prop-2-enylidene-2-(sulfanylmethylidene)-7H-chromene-4-thiol
CID 129045587

Frequently Asked Questions

What is the IUPAC name of 2,7-dihydrothiopyrano[4,3-b]pyran?
The IUPAC name of 2,7-dihydrothiopyrano[4,3-b]pyran (CID 56609471) is 2,7-dihydrothiopyrano[4,3-b]pyran.
What is the SMILES notation for 2,7-dihydrothiopyrano[4,3-b]pyran?
The canonical SMILES for 2,7-dihydrothiopyrano[4,3-b]pyran is C1=CC2=CSCC=C2OC1.
What is the InChIKey of 2,7-dihydrothiopyrano[4,3-b]pyran?
The InChIKey is IUENQDBBPWKQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-2-7-6-10-5-3-8(7)9-4-1/h1-3,6H,4-5H2.
What are the key properties of 2,7-dihydrothiopyrano[4,3-b]pyran?
2,7-dihydrothiopyrano[4,3-b]pyran has a molecular weight of 152.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydrothiopyrano[4,3-b]pyran is sourced from PubChem (CID 56609471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).