(3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene

C8H14S — CID 58531331

IUPAC(3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene
SMILESCC1=C(C)[C@H](C)C(C)S1
InChIInChI=1S/C8H14S/c1-5-6(2)8(4)9-7(5)3/h5,7H,1-4H3/t5-,7?/m0/s1
InChIKeyHWTJCHZWSDWGLP-DSEUIKHZSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds

About (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene

(3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene (PubChem CID 58531331) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name(3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene
PubChem CID58531331
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene
SMILESCC1=C(C)[C@H](C)C(C)S1
InChIInChI=1S/C8H14S/c1-5-6(2)8(4)9-7(5)3/h5,7H,1-4H3/t5-,7?/m0/s1
InChIKeyHWTJCHZWSDWGLP-DSEUIKHZSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1,4,5,6,7,7a-hexahydro-benzo[c]thiophene
CID 14026315
5-Methyl-4-propan-2-yl-2,3-dihydrothiophene
CID 13360337
4-Ethyl-5-methyl-2,3-dihydrothiophene
CID 15709709
(2S,3R)-2-[(E)-2-fluoroethenyl]-3,4,5-trimethyl-2,3-dihydrothiophene
CID 164114816
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
3,4,5,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134919707
2,2,4,5-tetramethyl-3H-thiophene
CID 18339217
3,4-Di(propan-2-yl)-2,5-dihydrothiophene
CID 57632384
4,5-Di(propan-2-yl)-2,3-dihydrothiophene
CID 57632396
2,3,4,5-Tetramethyl-2,5-dihydrothiophene
CID 58150625
3,5-Ditert-butyl-4-propan-2-yl-2,3-dihydrothiophene
CID 59616926
6,7-Dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
CID 59956550

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene?
The IUPAC name of (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene (CID 58531331) is (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene.
What is the SMILES notation for (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene?
The canonical SMILES for (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene is CC1=C(C)[C@H](C)C(C)S1.
What is the InChIKey of (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene?
The InChIKey is HWTJCHZWSDWGLP-DSEUIKHZSA-N. The full InChI is InChI=1S/C8H14S/c1-5-6(2)8(4)9-7(5)3/h5,7H,1-4H3/t5-,7?/m0/s1.
What are the key properties of (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene?
(3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene is sourced from PubChem (CID 58531331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).