KEGG   COMPOUND: C14437
Entry
C14437                      Compound                               
Name
2-Mercaptobenzothiazole;
Captax
Formula
C7H5NS2
Exact mass
166.9863
Mol weight
167.26
Structure
Other DBs
CAS: 149-30-4
PubChem: 17395437
ChEBI: 34292
PDB-CCD: XO9[PDBj]
NIKKAJI: J2.552F
KCF data

ATOM        10
            1   C8x C    22.6532  -16.5074
            2   C8x C    22.6532  -15.1031
            3   C8x C    23.8469  -14.4009
            4   C8y C    25.1109  -15.1031
            5   C8y C    25.1109  -16.5074
            6   C8x C    23.8469  -17.2096
            7   S2x S    26.4450  -14.6817
            8   C8y C    27.2175  -15.8052
            9   N5x N    26.4450  -16.9288
            10  S1a S    28.6219  -15.8052
BOND        11
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1

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Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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