Chemical ID: 4517663

c1ccc(cc1)OC2CCS(=O)(=O)C2
Chemical ID:
4517663
Name [?]:
3-phenoxythiolane 1,1-dioxide
SMILES [?]:
c1ccc(cc1)OC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C10H12O3S/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,10,14,4,8,12,13,7,11/E:(2,3)(4,5)(11,12)/CRV:14.6/rA:14cCCCCCCOCCCSOOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;d11;s8s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.77913
Area:369.013
Solvation:-3.4462
Coulombic:-9.92229
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.266
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.87
LogP (Chemaxon):0.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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