3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran

C11H16S2 — CID 70888591

IUPAC3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran
SMILESCc1c(C(C)C)sc2c1CCSC2
InChIInChI=1S/C11H16S2/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11/h7H,4-6H2,1-3H3
InChIKeyXBHOUCLDVNOJGO-UHFFFAOYSA-N
MW212.38 g/mol
LogP3.97
Rot. Bonds1

About 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran

3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran (PubChem CID 70888591) has the molecular formula C11H16S2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran
PubChem CID70888591
Molecular FormulaC11H16S2
Molecular Weight212.38 g/mol
Exact Mass212.07
IUPAC Name3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran
SMILESCc1c(C(C)C)sc2c1CCSC2
InChIInChI=1S/C11H16S2/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11/h7H,4-6H2,1-3H3
InChIKeyXBHOUCLDVNOJGO-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran?
The IUPAC name of 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran (CID 70888591) is 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran.
What is the SMILES notation for 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran?
The canonical SMILES for 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran is Cc1c(C(C)C)sc2c1CCSC2.
What is the InChIKey of 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran?
The InChIKey is XBHOUCLDVNOJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S2/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran?
3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran has a molecular weight of 212.38 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran is sourced from PubChem (CID 70888591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).