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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Related Compounds

3a,7a-Dihydro-1H-1-benzothiophene-1,1-dione
CID 13511342
(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide
CID 5469713
2-Fluoro-5-(methylsulfonylmethyl)cyclohexa-1,3-diene
CID 89073508
1-Fluoro-6-methyl-3-methylsulfonylocta-2,4-diene
CID 91149935
(3E,7E)-3-fluoro-2-methyl-5,6-dimethylidene-7-methylsulfonyldeca-1,3,7,9-tetraene
CID 143030195
(2E,4E)-5-fluoro-2-methylsulfonyl-3-propan-2-ylhexa-2,4-diene
CID 166647410
Thiophene, 2,3-bis(1,1-dimethylethyl)-, 1,1-dioxide
CID 546499
7,8-Dimethyl-9-thiabicyclo[4.2.1]nona-2,4,7-triene 9,9-dioxide
CID 24209376
3,5-Ditert-butyl-2-methylthiophene 1,1-dioxide
CID 85674430
1-Methyl 4-methylphenyl 3-(trimethylstannyl)propyl sulfone
CID 129767083
3,4-Dimethyl-2,5-diprop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420273
4-Methyl-5-prop-1-enyl-2,3-dihydrothiophene 1,1-dioxide
CID 6421260

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).