519793
  CDK     1106202311

  7  6  0  0  0  0  0  0  0  0999 V2000
    5.6655   -0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:166590

> <NAME>
4-(Methylthio)-1-butanol

> <STAR>
2

> <IUPAC_NAME>
4-methylsulanylbutan-1-ol

> <FORMULA>
C5H12OS

> <MASS>
120.210

> <MONOISOTOPIC_MASS>
120.06089

> <CHARGE>
0

> <SMILES>
S(CCCCO)C

> <INCHI>
InChI=1S/C5H12OS/c1-7-5-3-2-4-6/h6H,2-5H2,1H3

> <INCHIKEY>
JNTVUHZXIJFHAU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
20582-85-8

> <CHEMIDPLUS>
20582-85-8

$$$$