KEGG   COMPOUND: C19164
Entry
C19164                      Compound                               
Name
Sulfur mustard;
Mustard gas;
Iprit
Formula
C4H8Cl2S
Exact mass
157.9724
Mol weight
159.0773
Structure
Pathway
map05204  Chemical carcinogenesis - DNA adducts
Network
nt06250  DNA adduct formation (cancer)
Other DBs
CAS: 505-60-2
PubChem: 124489836
ChEBI: 25434
KCF data

ATOM        7
            1   X   Cl   15.7500  -15.6100
            2   C1b C    16.9624  -14.9100
            3   C1b C    18.1749  -15.6100
            4   S2a S    19.3873  -14.9100
            5   C1b C    20.5997  -15.6100
            6   C1b C    21.8122  -14.9100
            7   X   Cl   23.0246  -15.6100
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1

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