2-propa-1,2-dienylthiolane 1,1-dioxide

C7H10O2S — CID 175330823

IUPAC2-propa-1,2-dienylthiolane 1,1-dioxide
SMILESC=C=CC1CCCS1(=O)=O
InChIInChI=1S/C7H10O2S/c1-2-4-7-5-3-6-10(7,8)9/h4,7H,1,3,5-6H2
InChIKeyBLAOPMOQJXPCLU-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.90
Rot. Bonds1

About 2-propa-1,2-dienylthiolane 1,1-dioxide

2-propa-1,2-dienylthiolane 1,1-dioxide (PubChem CID 175330823) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-propa-1,2-dienylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-propa-1,2-dienylthiolane 1,1-dioxide
PubChem CID175330823
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name2-propa-1,2-dienylthiolane 1,1-dioxide
SMILESC=C=CC1CCCS1(=O)=O
InChIInChI=1S/C7H10O2S/c1-2-4-7-5-3-6-10(7,8)9/h4,7H,1,3,5-6H2
InChIKeyBLAOPMOQJXPCLU-UHFFFAOYSA-N
XLogP0.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-2-isocyanatoethenyl]thiolane 1,1-dioxide
CID 117267031
2-propa-1,2-dienylcyclopentan-1-one
CID 87793811
1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane
CID 163516352
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide
CID 91525316
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-en-1-amine
CID 81039342
2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide
CID 175151534
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-enamide
CID 81039292
2-amino-1-(1,1-dioxothiolan-2-yl)propan-1-one
CID 115018608
2-(3-bromo-2-methylpropyl)thiolane 1,1-dioxide
CID 165442715
3-(1,1-dioxothiolan-2-yl)but-3-en-1-amine
CID 117268487
N-(1,1-dioxothiolan-2-yl)oxymethanamine
CID 117126714

Frequently Asked Questions

What is the IUPAC name of 2-propa-1,2-dienylthiolane 1,1-dioxide?
The IUPAC name of 2-propa-1,2-dienylthiolane 1,1-dioxide (CID 175330823) is 2-propa-1,2-dienylthiolane 1,1-dioxide.
What is the SMILES notation for 2-propa-1,2-dienylthiolane 1,1-dioxide?
The canonical SMILES for 2-propa-1,2-dienylthiolane 1,1-dioxide is C=C=CC1CCCS1(=O)=O.
What is the InChIKey of 2-propa-1,2-dienylthiolane 1,1-dioxide?
The InChIKey is BLAOPMOQJXPCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-2-4-7-5-3-6-10(7,8)9/h4,7H,1,3,5-6H2.
What are the key properties of 2-propa-1,2-dienylthiolane 1,1-dioxide?
2-propa-1,2-dienylthiolane 1,1-dioxide has a molecular weight of 158.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propa-1,2-dienylthiolane 1,1-dioxide is sourced from PubChem (CID 175330823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).