2,2-dimethylbutane;ethane;thiophene

C12H24S — CID 91540315

IUPAC2,2-dimethylbutane;ethane;thiophene
SMILESCC.CCC(C)(C)C.c1ccsc1
InChIInChI=1S/C6H14.C4H4S.C2H6/c1-5-6(2,3)4;1-2-4-5-3-1;1-2/h5H2,1-4H3;1-4H;1-2H3
InChIKeyBTJDEACDYAXDIN-UHFFFAOYSA-N
MW200.39 g/mol
LogP5.22
Rot. Bonds

About 2,2-dimethylbutane;ethane;thiophene

2,2-dimethylbutane;ethane;thiophene (PubChem CID 91540315) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 2,2-dimethylbutane;ethane;thiophene.

Molecular Properties

Compound Name2,2-dimethylbutane;ethane;thiophene
PubChem CID91540315
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name2,2-dimethylbutane;ethane;thiophene
SMILESCC.CCC(C)(C)C.c1ccsc1
InChIInChI=1S/C6H14.C4H4S.C2H6/c1-5-6(2,3)4;1-2-4-5-3-1;1-2/h5H2,1-4H3;1-4H;1-2H3
InChIKeyBTJDEACDYAXDIN-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;ethane;thiophene?
The IUPAC name of 2,2-dimethylbutane;ethane;thiophene (CID 91540315) is 2,2-dimethylbutane;ethane;thiophene.
What is the SMILES notation for 2,2-dimethylbutane;ethane;thiophene?
The canonical SMILES for 2,2-dimethylbutane;ethane;thiophene is CC.CCC(C)(C)C.c1ccsc1.
What is the InChIKey of 2,2-dimethylbutane;ethane;thiophene?
The InChIKey is BTJDEACDYAXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H4S.C2H6/c1-5-6(2,3)4;1-2-4-5-3-1;1-2/h5H2,1-4H3;1-4H;1-2H3.
What are the key properties of 2,2-dimethylbutane;ethane;thiophene?
2,2-dimethylbutane;ethane;thiophene has a molecular weight of 200.39 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;ethane;thiophene is sourced from PubChem (CID 91540315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).