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Chemical ID: 4517663
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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