4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione
PubChem CID
2777265
Structure
Molecular Formula
Synonyms
- 10442-03-2
- 4-Propargylthiomorpholine 1,1-Dioxide
- 4-(Prop-2-yn-1-yl)thiomorpholine 1,1-dioxide
- 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
- thiomorpholine, 4-(2-propyn-1-yl)-, 1,1-dioxide
Molecular Weight
173.24 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-07-19
- Modify:2025-01-11
Chemical Structure Depiction
4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CZBZIZOYSYHBNM-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C#CCN1CCS(=O)(=O)CC1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C7H11NO2S
Computed by PubChem 2.2 (PubChem release 2024.11.20)
10442-03-2
- 10442-03-2
- 4-Propargylthiomorpholine 1,1-Dioxide
- 4-(Prop-2-yn-1-yl)thiomorpholine 1,1-dioxide
- 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
- thiomorpholine, 4-(2-propyn-1-yl)-, 1,1-dioxide
- 4-prop-2-ynyl-thiomorpholine 1,1-dioxide
- DTXSID70380442
- 4-propargylthiomorpholine-1,1-dioxide
- 4-(prop-2-yn-1-yl)-1lambda6-thiomorpholine-1,1-dione
- 4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione
- 4-(2-Propynyl)thiomorpholine 1,1-Dioxide
- MFCD00085157
- Oprea1_537731
- SCHEMBL896956
- DTXCID60331468
- 4-(prop-2-yn-1-yl)-1$l^{6},4-thiomorpholine-1,1-dione
- HMS1662C16
- AKOS009158021
- PS-4328
- SB17767
- 4-propargyl-thiomorpholine-1,1-dioxide
- N-propargyl-S,S-dioxo-4-thiapiperidine
- DB-015357
- 4-(2-propynyl)-thiomorpholine 1,1-dioxide
- 4-PROPARGYLTHIOMORPHOLINE1,1-DIOXIDE
- CS-0047848
- NS00098054
- P1469
- 4-(Prop-2-yn-1-yl)thiomorpholine1,1-dioxide
- EN300-380011
- P10072
- Thiomorpholine,4-(2-propyn-1-yl)-,1,1-dioxide
- 4-prop-2-ynyl-thiomorpholine 1,1-dioxide, AldrichCPR
- Z804945660
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
173.24 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
-0.5
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
173.05104977 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
173.05104977 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
45.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
253
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CZBZIZOYSYHBNM-UHFFFAOYSA-N
- EPA DSSTox4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dionehttps://comptox.epa.gov/dashboard/DTXSID70380442CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dionehttps://www.wikidata.org/wiki/Q82170672
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389462584https://pubchem.ncbi.nlm.nih.gov/substance/389462584
CONTENTS