ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene

C12H26S — CID 144689703

IUPACethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene
SMILESCC.CC.CC1=C(C)C(C)C(C)S1
InChIInChI=1S/C8H14S.2C2H6/c1-5-6(2)8(4)9-7(5)3;2*1-2/h5,7H,1-4H3;2*1-2H3
InChIKeyUERINCFBBDNVQP-UHFFFAOYSA-N
MW202.41 g/mol
LogP5.10
Rot. Bonds

About ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene

ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene (PubChem CID 144689703) has the molecular formula C12H26S and a molecular weight of 202.41 g/mol. Its IUPAC name is ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Nameethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene
PubChem CID144689703
Molecular FormulaC12H26S
Molecular Weight202.41 g/mol
Exact Mass202.18
IUPAC Nameethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene
SMILESCC.CC.CC1=C(C)C(C)C(C)S1
InChIInChI=1S/C8H14S.2C2H6/c1-5-6(2)8(4)9-7(5)3;2*1-2/h5,7H,1-4H3;2*1-2H3
InChIKeyUERINCFBBDNVQP-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-4-propan-2-yl-2,3-dihydrothiophene
CID 13360337
Tetramethyl(2-methylthioethyl)cyclopentadiene
CID 15769687
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
5-Tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 15846890
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
3,4,5,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134919707
(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane
CID 134945768
3,4,5-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988752
2-[(2,3,4,5-Tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1,3-dithiane
CID 11780077
2,6-Dimethyl-8-propan-2-ylsulfanyloct-2-ene
CID 14689106
1,2,3,4-Tetramethyl-5-propylsulfanylcyclopenta-1,3-diene
CID 15823249

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene?
The IUPAC name of ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene (CID 144689703) is ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene.
What is the SMILES notation for ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene?
The canonical SMILES for ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene is CC.CC.CC1=C(C)C(C)C(C)S1.
What is the InChIKey of ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene?
The InChIKey is UERINCFBBDNVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S.2C2H6/c1-5-6(2)8(4)9-7(5)3;2*1-2/h5,7H,1-4H3;2*1-2H3.
What are the key properties of ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene?
ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene has a molecular weight of 202.41 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,5-tetramethyl-2,3-dihydrothiophene is sourced from PubChem (CID 144689703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).