ChEBI
  Marvin  09290512222D          

  4  3  0  0  0  0            999 V2000
    6.4857   -3.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645   -3.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1860   -3.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0643   -3.4355    0.0000 S   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
M  END
> <ID>
CHEBI:41218

> <NAME>
mercaptoethanol

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41215; CHEBI:6766

> <SYNONYM>
Thioglycol; Mercaptoethanol; BETA-MERCAPTOETHANOL; beta-mercaptoethanol; 2-Mercaptoethanol

> <IUPAC_NAME>
2-sulfanylethanol

> <FORMULA>
C2H6OS

> <MASS>
78.13444

> <MONOISOTOPIC_MASS>
78.01394

> <CHARGE>
0

> <SMILES>
OCCS

> <INCHI>
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2

> <INCHIKEY>
DGVVWUTYPXICAM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
773648

> <CAS_REGISTRY_NUMBER>
60-24-2

> <GMELIN_REGISTRY_NUMBER>
1368

> <CHEMIDPLUS>
60-24-2

> <DRUGBANK_ACCESSION>
DB03345

> <KEGG_COMPOUND_ACCESSION>
C00928

> <NIST_CHEMISTRY_WEBBOOK>
60-24-2

> <PDBECHEM_ACCESSION>
BME

> <PUBMED_CITATION>
6334792

$$$$