Chemical ID: 6045664

Cn1c(=O)n(c(=O)s1)Cc2ccccc2
Chemical ID:
6045664
Name [?]:
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILES [?]:
Cn1c(=O)n(c(=O)s1)Cc2ccccc2
InChi [?]:
InChI=1/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,9,10,3,6,2,5,4,7,8/E:(3,4)(5,6)/rA:15nCNCONCOSCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s2s6;s5;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.7862
Area:377.242
Solvation:-1.64485
Coulombic:-36.7042
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:222.265
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.23
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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