KEGG   COMPOUND: C01871Help
Entry
C01871                      Compound                               

Name
1,4-Dithiane
Formula
C4H8S2
Exact mass
120.0067
Mol weight
120.2363
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 505-29-3
PubChem: 4985
ChEBI: 540
ChEMBL: CHEMBL3183037
NIKKAJI: J6.222G
KCF data Show

ATOM        6
            1   C1x C    20.9141  -15.4681
            2   C1x C    20.9141  -16.8719
            3   S2x S    22.1137  -14.7726
            4   S2x S    22.1137  -17.5802
            5   C1x C    23.3324  -15.4681
            6   C1x C    23.3324  -16.8719
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   6 1

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