2-propan-2-ylidenethiolane 1,1-dioxide

C7H12O2S — CID 10012183

IUPAC2-propan-2-ylidenethiolane 1,1-dioxide
SMILESCC(C)=C1CCCS1(=O)=O
InChIInChI=1S/C7H12O2S/c1-6(2)7-4-3-5-10(7,8)9/h3-5H2,1-2H3
InChIKeyWCUBHOASZXNFNJ-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.49
Rot. Bonds

About 2-propan-2-ylidenethiolane 1,1-dioxide

2-propan-2-ylidenethiolane 1,1-dioxide (PubChem CID 10012183) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-propan-2-ylidenethiolane 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-ylidenethiolane 1,1-dioxide
PubChem CID10012183
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-propan-2-ylidenethiolane 1,1-dioxide
SMILESCC(C)=C1CCCS1(=O)=O
InChIInChI=1S/C7H12O2S/c1-6(2)7-4-3-5-10(7,8)9/h3-5H2,1-2H3
InChIKeyWCUBHOASZXNFNJ-UHFFFAOYSA-N
XLogP1.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
3,4-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001955
2,3-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 458305
4,5-dimethyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 155935628
(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413317
(2S)-3-ethyl-2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413489
Thiophene, 2,3-dihydro-2,5-dimethyl-, 1,1-dioxide
CID 11094765
4,5-Dimethyl-2,3-dihydrothiophene 1,1-dioxide
CID 12490514
5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 13330835
3-Ethyl-2-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 13694646
4,5-Dimethyl-2,3-dihydrothiophene 1-oxide
CID 14041190

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidenethiolane 1,1-dioxide?
The IUPAC name of 2-propan-2-ylidenethiolane 1,1-dioxide (CID 10012183) is 2-propan-2-ylidenethiolane 1,1-dioxide.
What is the SMILES notation for 2-propan-2-ylidenethiolane 1,1-dioxide?
The canonical SMILES for 2-propan-2-ylidenethiolane 1,1-dioxide is CC(C)=C1CCCS1(=O)=O.
What is the InChIKey of 2-propan-2-ylidenethiolane 1,1-dioxide?
The InChIKey is WCUBHOASZXNFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-6(2)7-4-3-5-10(7,8)9/h3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylidenethiolane 1,1-dioxide?
2-propan-2-ylidenethiolane 1,1-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidenethiolane 1,1-dioxide is sourced from PubChem (CID 10012183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).