4-propyl-2H-thiete 1,1-dioxide

C6H10O2S — CID 10964654

IUPAC4-propyl-2H-thiete 1,1-dioxide
SMILESCCCC1=CCS1(=O)=O
InChIInChI=1S/C6H10O2S/c1-2-3-6-4-5-9(6,7)8/h4H,2-3,5H2,1H3
InChIKeyYTBIOQAIHUQDQK-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.10
Rot. Bonds2

About 4-propyl-2H-thiete 1,1-dioxide

4-propyl-2H-thiete 1,1-dioxide (PubChem CID 10964654) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-propyl-2H-thiete 1,1-dioxide.

Molecular Properties

Compound Name4-propyl-2H-thiete 1,1-dioxide
PubChem CID10964654
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name4-propyl-2H-thiete 1,1-dioxide
SMILESCCCC1=CCS1(=O)=O
InChIInChI=1S/C6H10O2S/c1-2-3-6-4-5-9(6,7)8/h4H,2-3,5H2,1H3
InChIKeyYTBIOQAIHUQDQK-UHFFFAOYSA-N
XLogP1.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.10
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
Thiophene, 2,5-dihydro-2-methyl-, 1,1-dioxide
CID 22330
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
2-Hexenyl methyl sulfone
CID 129668047
Methylsulfonylcyclohex-2-ene
CID 129813952
Thiacyclohex-3-ene, 1,1-dioxide
CID 140143
2,3-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 458305
1-Methylsulfonylcyclopentene
CID 10931576
2,5-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 13441953
6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 12610444
2-Allyl-3-sulfolene
CID 13441948

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2H-thiete 1,1-dioxide?
The IUPAC name of 4-propyl-2H-thiete 1,1-dioxide (CID 10964654) is 4-propyl-2H-thiete 1,1-dioxide.
What is the SMILES notation for 4-propyl-2H-thiete 1,1-dioxide?
The canonical SMILES for 4-propyl-2H-thiete 1,1-dioxide is CCCC1=CCS1(=O)=O.
What is the InChIKey of 4-propyl-2H-thiete 1,1-dioxide?
The InChIKey is YTBIOQAIHUQDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-2-3-6-4-5-9(6,7)8/h4H,2-3,5H2,1H3.
What are the key properties of 4-propyl-2H-thiete 1,1-dioxide?
4-propyl-2H-thiete 1,1-dioxide has a molecular weight of 146.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2H-thiete 1,1-dioxide is sourced from PubChem (CID 10964654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).