Chemical ID: 5183653

C1C(CS1(=O)=O)Br
Chemical ID:
5183653
Name [?]:
3-bromothietane 1,1-dioxide
SMILES [?]:
C1C(CS1(=O)=O)Br
InChi [?]:
InChI=1/C3H5BrO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,3,2,7,5,6,4/E:(1,2)(5,6)/CRV:7.6/rA:7nCCCSOOBr/rB:s1;s2;s1s3;d4;d4;s2;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C3H5BrO2S
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:3.70855
Area:260.4
Solvation:-2.80146
Coulombic:-0.012287
Bond Count [?]
All:7
Single:5
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:185.041
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.73
LogP (Chemaxon):-0.33

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Descriptor Annotations

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