3,4-dimethylidenethiolane 1,1-dioxide

C6H8O2S — CID 12607497

IUPAC3,4-dimethylidenethiolane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CC1=C
InChIInChI=1S/C6H8O2S/c1-5-3-9(7,8)4-6(5)2/h1-4H2
InChIKeyKBHZLHMXZWPVQQ-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.53
Rot. Bonds

About 3,4-dimethylidenethiolane 1,1-dioxide

3,4-dimethylidenethiolane 1,1-dioxide (PubChem CID 12607497) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 3,4-dimethylidenethiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-dimethylidenethiolane 1,1-dioxide
PubChem CID12607497
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name3,4-dimethylidenethiolane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CC1=C
InChIInChI=1S/C6H8O2S/c1-5-3-9(7,8)4-6(5)2/h1-4H2
InChIKeyKBHZLHMXZWPVQQ-UHFFFAOYSA-N
XLogP0.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidenethiolane 1,1-dioxide?
The IUPAC name of 3,4-dimethylidenethiolane 1,1-dioxide (CID 12607497) is 3,4-dimethylidenethiolane 1,1-dioxide.
What is the SMILES notation for 3,4-dimethylidenethiolane 1,1-dioxide?
The canonical SMILES for 3,4-dimethylidenethiolane 1,1-dioxide is C=C1CS(=O)(=O)CC1=C.
What is the InChIKey of 3,4-dimethylidenethiolane 1,1-dioxide?
The InChIKey is KBHZLHMXZWPVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-5-3-9(7,8)4-6(5)2/h1-4H2.
What are the key properties of 3,4-dimethylidenethiolane 1,1-dioxide?
3,4-dimethylidenethiolane 1,1-dioxide has a molecular weight of 144.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidenethiolane 1,1-dioxide is sourced from PubChem (CID 12607497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).