Chemical ID: 6679380

CN1CSCCC1C(=O)O
Chemical ID:
6679380
Name [?]:
3-methyl-1,3-thiazinane-4-carboxylic acid
SMILES [?]:
CN1CSCCC1C(=O)O
InChi [?]:
InChI=1/C6H11NO2S/c1-7-4-10-3-2-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,6,5,3,7,8,2,9,10,4/E:(8,9)/rA:10cCNCSCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H11NO2S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:2
ZAP Information [?]
Total:5.5446
Area:297.551
Solvation:-1.89417
Coulombic:-32.9418
Bond Count [?]
All:10
Single:9
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:161.223
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.31
LogP (Chemaxon):-1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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