KEGG   COMPOUND: C10910
Entry
C10910                      Compound                               
Name
2-Methylthiobenzothiazole
Formula
C8H7NS2
Exact mass
181.002
Mol weight
181.2779
Structure
Other DBs
CAS: 615-22-5
PubChem: 13093
ChEBI: 1217
NIKKAJI: J37.327C
KCF data

ATOM        11
            1   C8x C    22.3025  -16.5035
            2   C8x C    22.3025  -15.1042
            3   C8x C    23.5173  -14.4045
            4   C8x C    23.5173  -17.2032
            5   C8y C    24.7249  -16.5035
            6   C8y C    24.7191  -15.1008
            7   S2x S    26.0515  -14.6617
            8   C8y C    26.8804  -15.7932
            9   N5x N    26.0608  -16.9315
            10  S2a S    28.2797  -15.7874
            11  C1a C    28.9744  -14.5726
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9   5 1
            10    4   1 2
            11    8  10 1
            12   10  11 1

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  All links  
Chemical substance (9)   
   PubChem (1)   
   ChEBI (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
All databases (9)   

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