1,1,2,2,3,4-hexamethyl-3H-thiophene

C10H20S — CID 138665143

IUPAC1,1,2,2,3,4-hexamethyl-3H-thiophene
SMILESCC1=CS(C)(C)C(C)(C)C1C
InChIInChI=1S/C10H20S/c1-8-7-11(5,6)10(3,4)9(8)2/h7,9H,1-6H3
InChIKeyJAQOBFGQSDMUEY-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.38
Rot. Bonds

About 1,1,2,2,3,4-hexamethyl-3H-thiophene

1,1,2,2,3,4-hexamethyl-3H-thiophene (PubChem CID 138665143) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexamethyl-3H-thiophene.

Molecular Properties

Compound Name1,1,2,2,3,4-hexamethyl-3H-thiophene
PubChem CID138665143
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1,1,2,2,3,4-hexamethyl-3H-thiophene
SMILESCC1=CS(C)(C)C(C)(C)C1C
InChIInChI=1S/C10H20S/c1-8-7-11(5,6)10(3,4)9(8)2/h7,9H,1-6H3
InChIKeyJAQOBFGQSDMUEY-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Ethenyl-3-methyl-4-prop-1-en-2-ylthiolane
CID 177866087
2,5-Dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
CID 162565819
4-Propan-2-yl-2,3-dihydrothiophene
CID 57750800
2,2-di(propan-2-yl)-3H-thiophene
CID 58055958
4-Tert-butyl-2-methylidenethiolane
CID 58416246
2,3-Di(propan-2-yl)-2,3-dihydrothiophene
CID 58469891
3,4-Ditert-butyl-2,3-dihydrothiophene
CID 58778257
3-Methylidene-4-propan-2-ylthiophene
CID 59293498
3-Methyl-4-propan-2-yl-2,3-dihydrothiophene
CID 89065666
3-(2-Methylprop-2-enyl)thiolane
CID 89152874
3-Ethyl-4-methyl-2,3-dihydrothiophene
CID 89231848
2,2,3,3,4-Pentamethylthiophene
CID 89296538

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4-hexamethyl-3H-thiophene?
The IUPAC name of 1,1,2,2,3,4-hexamethyl-3H-thiophene (CID 138665143) is 1,1,2,2,3,4-hexamethyl-3H-thiophene.
What is the SMILES notation for 1,1,2,2,3,4-hexamethyl-3H-thiophene?
The canonical SMILES for 1,1,2,2,3,4-hexamethyl-3H-thiophene is CC1=CS(C)(C)C(C)(C)C1C.
What is the InChIKey of 1,1,2,2,3,4-hexamethyl-3H-thiophene?
The InChIKey is JAQOBFGQSDMUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-8-7-11(5,6)10(3,4)9(8)2/h7,9H,1-6H3.
What are the key properties of 1,1,2,2,3,4-hexamethyl-3H-thiophene?
1,1,2,2,3,4-hexamethyl-3H-thiophene has a molecular weight of 172.34 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4-hexamethyl-3H-thiophene is sourced from PubChem (CID 138665143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).