C1CSCSC1
CAS: 505-23-7
Name: 1,3-dithiane
SMILES: C1CSCSC1

Molecular Processing

Molecular formula
C4H8S2
Molecular weight
120.24
Exact mass
120.0067
XLogP
1.81
TPSA
0
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
6
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
34.4

Supplementary Information

InChIKey: WQADWIOXOXRPLN-UHFFFAOYSA-N
Synonyme
1,3-Dithiane505-23-71,3-Dithiacyclohexanem-DITHIANEDithiane-1,3NSC-15783063527N060GCHEBI:47845DTXSID40198516RefChem:72830DTXCID00121007208-006-7MFCD000066541,3-dithian[1,3]dithianeC4H8S2Dithiane-1,3 [French]CCRIS 6777EINECS 208-006-7NSC 157830AI3-62288UNII-63527N060G1.3-dithianem-Dithiane, 8CI1,3 dithiocyclohexane1,3-Dithiane, 97%SCHEMBL27723SCHEMBL37991SCHEMBL234106SCHEMBL236087
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