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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Related Compounds

Octahydrodibenzothiophene
CID 265416
2,3,4,5-Tetrapropylthiophene
CID 14270410
2,3,4,5-Tetraethylthiophene
CID 15260863
1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene
CID 10057889
2,3-Dimethyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 13265901
2-Ethyl-3,4,5-trimethyl-thiophene
CID 18682381
2,3,4,5-Tetrabutylthiophene
CID 23325202
3,4-Dibutyl-2,5-dimethylthiophene
CID 135050024
5,7-Ditert-butyl-3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 129208834
2-Butan-2-yl-3-fluoro-4,5,6,7-tetrahydro-1-benzothiophene
CID 143781055
3-Fluoro-2,4,5-tri(propan-2-yl)thiophene
CID 155737719
3-Fluoro-5-methyl-7-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 163988324

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).