Cas no 6970-90-7 ((3aR,7aS)hexahydro-1,3,2-benzodioxathiole 2,2-dioxide)
6970-90-7 structure
Product Name:(3aR,7aS)hexahydro-1,3,2-benzodioxathiole 2,2-dioxide
CAS No:6970-90-7
MF:C6H10O4S
MW:178.206201076508
CID:1738738
PubChem ID:499995
Update Time:2025-04-21
(3aR,7aS)hexahydro-1,3,2-benzodioxathiole 2,2-dioxide Chemical and Physical Properties
Names and Identifiers
-
- (3aR,7aS)hexahydro-1,3,2-benzodioxathiole 2,2-dioxide
- 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
- Hexahydro-1,3,2-benzodioxathiole 2,2-dioxide
- 6970-90-7
- Hexahydro-1,3,2-benzodioxathiol-2,2-dioxide
- NCIOpen2_000011
- NCIOpen2_000051
- RQZYATSEWICBFV-UHFFFAOYSA-N
- NSC 62659
- SCHEMBL2713698
- NSC 62660
- NSC62660
- NSC62659
-
- Inchi： 1S/C6H10O4S/c7-11(8)9-5-3-1-2-4-6(5)10-11/h5-6H,1-4H2
- InChI Key： RQZYATSEWICBFV-UHFFFAOYSA-N
- SMILES： S1(=O)(=O)OC2CCCCC2O1
Computed Properties
- Exact Mass: 178.03
- Monoisotopic Mass: 178.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 61?2
Experimental Properties
- Density: 1.377
- Boiling Point: 293.3°C at 760 mmHg
- Flash Point: 131.2°C
- Refractive Index: 1.499
- PSA: 52.6
(3aR,7aS)hexahydro-1,3,2-benzodioxathiole 2,2-dioxide Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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