Marvin  08131313292D          

  7  6  0  0  0  0            999 V2000
   14.9972   -4.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2704   -5.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7029   -5.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5648   -4.6965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8418   -5.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362   -4.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4132   -5.0640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:75184

> <NAME>
thiodiglycol

> <DEFINITION>
A diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom

> <STAR>
3

> <SYNONYM>
Tiodiglicolo; Thiodiethylene glycol; Thiodiethanol; Dihydroxyethyl sulfide; Diethanol sulfide; Di(2-hydroxyethyl) sulfide; Bis(hydroxyethyl)sulfide; Bis(beta-hydroxyethyl)sulfide; bis(beta-hydroxyethyl) sulfide; Bis(2-hydroxyethyl)sulfide; Bis(2-hydroxyethyl) thioether; Bis(2-hydroxyethyl) sulphide; Bis(2-hydroxyethyl) sulfide; beta-thiodiglycol; beta-Hydroxyethyl sulfide; beta-hydroxyethyl sulfid; beta-bis(hydroxyethyl) sulfide; beta,beta'-dihydroxyethyl sulfide; beta,beta'-Dihydroxydiethyl sulfide; beta,beta'-dihydroxydiethyl sulfide; 3-Thiapentane-1,5-diol; 2-[(2-hydroxyethyl)sulfanyl]ethan-1-ol

> <IUPAC_NAME>
2,2'-sulfanediyldiethanol

> <INN>
tiodiglicol; thiodiglycolum; thiodiglycol

> <FORMULA>
C4H10O2S

> <MASS>
122.18600

> <MONOISOTOPIC_MASS>
122.04015

> <CHARGE>
0

> <SMILES>
OCCSCCO

> <INCHI>
InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2

> <INCHIKEY>
YODZTKMDCQEPHD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
111-48-8

> <REAXYS_REGISTRY_NUMBER>
1236325

> <CHEMIDPLUS>
111-48-8

> <NIST_CHEMISTRY_WEBBOOK>
111-48-8

> <WIKIPEDIA_ACCESSION>
Thiodiglycol

> <PUBMED_CITATION>
16965944; 18584953; 19179003; 19191966; 22460856; 22752796; 23610933; 3352237; 8342295

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