Chemical ID: 4687684

C(CSSCCC(=O)N)C(=O)N
Chemical ID:
4687684
Name [?]:
3-(2-carbamoylethyldisulfanyl)propanamide
SMILES [?]:
C(CSSCCC(=O)N)C(=O)N
InChi [?]:
InChI=1/C6H12N2O2S2/c7-5(9)1-3-11-12-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChi Info:
AuxInfo=1/1/N:1,6,2,5,10,7,12,9,11,8,3,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12nCCSSCCCONCON/rB:s1;s2;s3;s4;s5;s6;d7;s7;s1;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12N2O2S2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.89433
Area:394.203
Solvation:-2.96075
Coulombic:-48.2058
Bond Count [?]
All:11
Single:9
Double:2
Rotors:7
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.304
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.94
LogP (Chemaxon):-1.07

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Descriptor Annotations

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