2,3-di(propan-2-yl)thiophene 1,1-dioxide

C10H16O2S — CID 58478731

IUPAC2,3-di(propan-2-yl)thiophene 1,1-dioxide
SMILESCC(C)C1=C(C(C)C)S(=O)(=O)C=C1
InChIInChI=1S/C10H16O2S/c1-7(2)9-5-6-13(11,12)10(9)8(3)4/h5-8H,1-4H3
InChIKeyOBEUEMPOUZRGAX-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.49
Rot. Bonds2

About 2,3-di(propan-2-yl)thiophene 1,1-dioxide

2,3-di(propan-2-yl)thiophene 1,1-dioxide (PubChem CID 58478731) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)thiophene 1,1-dioxide.

Molecular Properties

Compound Name2,3-di(propan-2-yl)thiophene 1,1-dioxide
PubChem CID58478731
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2,3-di(propan-2-yl)thiophene 1,1-dioxide
SMILESCC(C)C1=C(C(C)C)S(=O)(=O)C=C1
InChIInChI=1S/C10H16O2S/c1-7(2)9-5-6-13(11,12)10(9)8(3)4/h5-8H,1-4H3
InChIKeyOBEUEMPOUZRGAX-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)thiophene 1,1-dioxide?
The IUPAC name of 2,3-di(propan-2-yl)thiophene 1,1-dioxide (CID 58478731) is 2,3-di(propan-2-yl)thiophene 1,1-dioxide.
What is the SMILES notation for 2,3-di(propan-2-yl)thiophene 1,1-dioxide?
The canonical SMILES for 2,3-di(propan-2-yl)thiophene 1,1-dioxide is CC(C)C1=C(C(C)C)S(=O)(=O)C=C1.
What is the InChIKey of 2,3-di(propan-2-yl)thiophene 1,1-dioxide?
The InChIKey is OBEUEMPOUZRGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7(2)9-5-6-13(11,12)10(9)8(3)4/h5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)thiophene 1,1-dioxide?
2,3-di(propan-2-yl)thiophene 1,1-dioxide has a molecular weight of 200.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)thiophene 1,1-dioxide is sourced from PubChem (CID 58478731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).