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Chemical ID: 4904886
Chemical ID:
4904886
Name [?]:
2-(2-hydroxyphenyl)sulfinylsulfinylphenol
SMILES [?]:
c1ccc(c(c1)O)S(=O)S(=O)c2ccccc2O
InChi [?]:
InChI=1/C12H10O4S2/c13-9-5-1-3-7-11(9)17(15)18(16)12-8-4-2-6-10(12)14/h1-8,13-14H
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,3,13,5,17,4,12,7,18,9,11,8,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18cCCCCCCOSOSOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10O4S2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95531 |
Area: | 429.335 |
Solvation: | -3.77806 |
Coulombic: | -43.4773 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.04 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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