Chemical ID: 4263943

CC(CS(=O)[O-])C(=O)[O-]
Chemical ID:
4263943
Name [?]:
2-methyl-3-sulfinato-propanoate
SMILES [?]:
CC(CS(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C4H8O4S/c1-3(4(5)6)2-9(7)8/h3H,2H2,1H3,(H,5,6)(H,7,8)/p-2
InChi Info:
AuxInfo=1/1/N:1,3,2,7,8,9,5,6,4/E:(5,6)(7,8)/rA:9cCCCSOO-COO-/rB:s1;s2;s3;d4;s4;s2;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H6O4S-2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:-103.562
Area:293.671
Solvation:-110.904
Coulombic:44.1013
Bond Count [?]
All:8
Single:6
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:150.154
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-2.43
LogP (Chemaxon):-0.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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