Chemical ID: 7238604

CSCCC(C(=O)[O-])[NH3+]
Chemical ID:
7238604
Name [?]:
2-azaniumyl-4-methylsulfanyl-butanoate
SMILES [?]:
CSCCC(C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,6,9,7,8,2/E:(7,8)/rA:9cCSCCCCOO-N+/rB:s1;s2;s3;s4;s5;d6;s6;s5;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H11NO2S
All Atoms:20
Heavy Atoms:9
Chiral Atoms:None
ZAP Information [?]
Total:-24.9233
Area:318.294
Solvation:-32.8807
Coulombic:-10.608
Bond Count [?]
All:8
Single:7
Double:1
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.17
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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