Cas no 89550-93-6 (Cyclohept[c][1,2]oxathiol-3(8H)-one,4-hydroxy-8-thioxo-)
![Cyclohept[c][1,2]oxathiol-3(8H)-one,4-hydroxy-8-thioxo- structure](https://ossimg.kuujia.com/scimg/90000/89550-93-6x500.png)
89550-93-6 structure
Product Name:Cyclohept[c][1,2]oxathiol-3(8H)-one,4-hydroxy-8-thioxo-
CAS No:89550-93-6
MF:C8H4O3S2
MW:212.245559692383
CID:722872
PubChem ID:55977
Update Time:2025-04-19
Cyclohept[c][1,2]oxathiol-3(8H)-one,4-hydroxy-8-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohept[c][1,2]oxathiol-3(8H)-one,4-hydroxy-8-thioxo-
- 8-sulfanylcyclohepta[c]oxathiole-3,4-dione
- thiotropocin
- 4-Hydroxy-8-thioxocyclohepta[c][1,2]oxathiol-3(8H)-one
- SCHEMBL455699
- CHEBI:29694
- 4-hydroxy-8-thioxo-cyclohepta[c][1,2]oxathiol-3(8H)-one
- 4-hydroxy-8-sulfanylidene-3H,8H-cyclohepta[c][1,2]oxathiol-3-one
- 4-Hydroxy-8-thioxocyclohept(c)-1,2-oxathiol-3(8H)-one
- BRN 4415507
- AKOS040749644
- Cyclohept(c)(1,2)oxathiol-3(8H)-one, 4-hydroxy-8-thioxo-
- DTXSID401008865
- CB-104
- 8-SULFANYLCYCLOHEPTA[C][1,2]OXATHIOLE-3,4-DIONE
- 4-hydroxy-8-sulfanylidenecyclohepta[c][1,2]oxathiol-3(8H)-one
- 89550-93-6
- starbld0006428
- Q27110228
-
- Inchi： 1S/C8H4O3S2/c9-4-2-1-3-5(12)7-6(4)8(10)11-13-7/h1-3,9H
- InChI Key： DQGOJKVIMNNGAH-UHFFFAOYSA-N
- SMILES： OC1C2=C(SOC2=O)C(=S)C=CC=1
Computed Properties
- Exact Mass: 211.960185
- Monoisotopic Mass: 211.960185
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 390
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: 1.3
- Topological Polar Surface Area: 69.7
Experimental Properties
- Density: 1.6
- Boiling Point: 351.5°C at 760 mmHg
- Flash Point: 166.4°C
- Refractive Index: 1.714
Cyclohept[c][1,2]oxathiol-3(8H)-one,4-hydroxy-8-thioxo- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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