Marvin  10060917202D          

 10 11  0  0  0  0            999 V2000
    9.8826   -6.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8826   -5.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5839   -5.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264   -5.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264   -6.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5839   -7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1102   -5.5802    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5641   -6.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1102   -6.9003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3891   -6.2402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <ID>
CHEBI:34292

> <NAME>
1,3-benzothiazole-2-thiol

> <DEFINITION>
1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:282886

> <SYNONYM>
Mercaptobenzothiazole; MBT; Captax; benzothiazolyl mercaptan; Benzothiazolethiol; Benzothiazole-2-thiol; 2-sulfanyl-1,3-benzothiazole; 2-Mercaptobenzothiazole; 2-MBT; 2-Benzothiazolethiol; 1,3-Benzothiazol-2-yl hydrosulfide

> <IUPAC_NAME>
1,3-benzothiazole-2-thiol

> <FORMULA>
C7H5NS2

> <MASS>
167.25100

> <MONOISOTOPIC_MASS>
166.98634

> <CHARGE>
0

> <SMILES>
Sc1nc2ccccc2s1

> <INCHI>
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

> <INCHIKEY>
YXIWHUQXZSMYRE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
508810

> <CAS_REGISTRY_NUMBER>
149-30-4

> <KEGG_COMPOUND_ACCESSION>
C14437

> <LINCS_ACCESSION>
LSM-18993

> <NIST_CHEMISTRY_WEBBOOK>
149-30-4

> <PUBMED_CITATION>
18568896; 18844695; 19158128; 21616561; 23063874; 23178179; 23340394

$$$$