Chemical ID: 4909333

C1CSC(SC1)C(=O)O
Chemical ID:
4909333
Name [?]:
1,3-dithiane-2-carboxylic acid
SMILES [?]:
C1CSC(SC1)C(=O)O
InChi [?]:
InChI=1/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,4,8,9,3,5/E:(2,3)(6,7)(8,9)/rA:9nCCSCSCCOO/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H8O2S2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.26113
Area:294.544
Solvation:-2.10248
Coulombic:-28.4431
Bond Count [?]
All:9
Single:8
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.248
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.99
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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