6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran

C8H10S2 — CID 12509779

IUPAC6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran
SMILESCC1CCc2ccsc2S1
InChIInChI=1S/C8H10S2/c1-6-2-3-7-4-5-9-8(7)10-6/h4-6H,2-3H2,1H3
InChIKeyFWMSBNMTUTZDHF-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.17
Rot. Bonds

About 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran

6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran (PubChem CID 12509779) has the molecular formula C8H10S2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran.

Molecular Properties

Compound Name6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran
PubChem CID12509779
Molecular FormulaC8H10S2
Molecular Weight170.30 g/mol
Exact Mass170.02
IUPAC Name6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran
SMILESCC1CCc2ccsc2S1
InChIInChI=1S/C8H10S2/c1-6-2-3-7-4-5-9-8(7)10-6/h4-6H,2-3H2,1H3
InChIKeyFWMSBNMTUTZDHF-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran?
The IUPAC name of 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran (CID 12509779) is 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran.
What is the SMILES notation for 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran?
The canonical SMILES for 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran is CC1CCc2ccsc2S1.
What is the InChIKey of 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran?
The InChIKey is FWMSBNMTUTZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2/c1-6-2-3-7-4-5-9-8(7)10-6/h4-6H,2-3H2,1H3.
What are the key properties of 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran?
6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran has a molecular weight of 170.30 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran is sourced from PubChem (CID 12509779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).